2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine

C74H105N5O4S4 — CID 159628240

IUPAC2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine
SMILESC1CCNCC1.C1CCOCC1.C1CCSCC1.C1COCCN1.C1CSCCN1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2
InChIInChI=1S/C9H11N.C9H10O.C9H10S.C8H9N.C8H8O.C8H8S.C5H11N.C5H10O.C5H10S.C4H9NO.C4H9NS/c3*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;2*1-3-6-4-2-5-1/h1-2,4,6,10H,3,5,7H2;2*1-2,4,6H,3,5,7H2;1-4,9H,5-6H2;2*1-4H,5-6H2;6H,1-5H2;2*1-5H2;2*5H,1-4H2
InChIKeyMOTXRBZGONLTPT-UHFFFAOYSA-N
MW1256.95 g/mol
LogP16.17
Rot. Bonds

About 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine

2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine (PubChem CID 159628240) has the molecular formula C74H105N5O4S4 and a molecular weight of 1256.95 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine
PubChem CID159628240
Molecular FormulaC74H105N5O4S4
Molecular Weight1256.95 g/mol
Exact Mass1255.70
IUPAC Name2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine
SMILESC1CCNCC1.C1CCOCC1.C1CCSCC1.C1COCCN1.C1CSCCN1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2
InChIInChI=1S/C9H11N.C9H10O.C9H10S.C8H9N.C8H8O.C8H8S.C5H11N.C5H10O.C5H10S.C4H9NO.C4H9NS/c3*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;2*1-3-6-4-2-5-1/h1-2,4,6,10H,3,5,7H2;2*1-2,4,6H,3,5,7H2;1-4,9H,5-6H2;2*1-4H,5-6H2;6H,1-5H2;2*1-5H2;2*5H,1-4H2
InChIKeyMOTXRBZGONLTPT-UHFFFAOYSA-N
XLogP16.17
TPSA97.07 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.95
LogP ≤ 516.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine with MolForge

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Related Compounds

morpholine;1,2,3,4-tetrahydroquinoline
CID 67874658
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;tris(cyclopentanone);cyclopropane;1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;2,3-dihydro-1H-indole;4,5-dihydro-1,3-oxazole;bis(1,4-dihydropyridine);2,5-dihydro-1H-pyrrole;3,4-dihydro-2H-thiochromene;1-methylidenethiazepane 1-oxide;morpholine;7-oxabicyclo[2.2.1]heptane;oxane;oxolane;oxolan-2-one;piperidine;piperidin-2-one;pyrazolidine;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydroquinoline;thiane;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide;thiomorpholine
CID 160728891
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;tris(cyclopentanone);cyclopropane;1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;2,3-dihydro-1H-indole;4,5-dihydro-1,3-oxazole;2,5-dihydro-1H-pyrrole;3,4-dihydro-2H-thiochromene;morpholine;7-oxabicyclo[2.2.1]heptane;oxane;1,3-oxazinan-2-one;oxolane;oxolan-2-one;bis(piperidine);pyrazolidine;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,2,3,4-tetrahydroquinoline;thiane;1,3-thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide;thiomorpholine
CID 160890181
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;tris(cyclopentanone);cyclopropane;1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;2,3-dihydro-1H-indole;4,5-dihydro-1,3-oxazole;2,5-dihydro-1H-pyrrole;3,4-dihydro-2H-thiochromene;methane;morpholine;7-oxabicyclo[2.2.1]heptane;oxane;1,3-oxazinan-2-one;oxolane;oxolan-2-one;bis(piperidine);pyrazolidine;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,2,3,4-tetrahydroquinoline;thiane;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide;thiomorpholine
CID 160500713
1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;cyclohexane;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-indole;methane;oxane;piperidine;1,2,3,4-tetrahydroisoquinoline
CID 159846252
azepane;2,3-dihydro-1,4-benzodioxine;1,3-dioxane;ethane;morpholine;oxane;1,3-oxathiane;oxepane;piperazine;piperazine-1-carbaldehyde;piperidine;1,2,3,4-tetrahydroisoquinoline;thiomorpholine
CID 159274688
16-oxa-2-thia-5,13,19-triazatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene
CID 139156943
2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;4-azatricyclo[5.2.1.02,6]decane;azepane;2,3-dihydro-1,4-benzodioxine;1,3-dioxane;ethane;morpholine;oxane;oxepane;piperazine;piperazine-1-carbaldehyde;piperidine;1,2,3,4-tetrahydronaphthalene;thiane;thiomorpholine
CID 157472190
3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
CID 159562537
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;bis(2,3-dihydrofuro[2,3-c]pyridine);tetrakis(2-methylpropane)
CID 159295259
cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
CID 159787478
3,4-dihydro-2H-thiochromene
CID 66971118

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine?
The IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine (CID 159628240) is 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine?
The canonical SMILES for 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine is C1CCNCC1.C1CCOCC1.C1CCSCC1.C1COCCN1.C1CSCCN1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.
What is the InChIKey of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine?
The InChIKey is MOTXRBZGONLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C9H10O.C9H10S.C8H9N.C8H8O.C8H8S.C5H11N.C5H10O.C5H10S.C4H9NO.C4H9NS/c3*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;2*1-3-6-4-2-5-1/h1-2,4,6,10H,3,5,7H2;2*1-2,4,6H,3,5,7H2;1-4,9H,5-6H2;2*1-4H,5-6H2;6H,1-5H2;2*1-5H2;2*5H,1-4H2.
What are the key properties of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine?
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine has a molecular weight of 1256.95 g/mol, XLogP of 16.17, 0 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine is sourced from PubChem (CID 159628240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).