3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine

C14H19NOS — CID 116927974

IUPAC3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
SMILESc1cc2c(cc1CC1COCCN1)CCCS2
InChIInChI=1S/C14H19NOS/c1-2-12-8-11(3-4-14(12)17-7-1)9-13-10-16-6-5-15-13/h3-4,8,13,15H,1-2,5-7,9-10H2
InChIKeyASZPNERSKVLPJI-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.26
Rot. Bonds2

About 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine

3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine (PubChem CID 116927974) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
PubChem CID116927974
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
SMILESc1cc2c(cc1CC1COCCN1)CCCS2
InChIInChI=1S/C14H19NOS/c1-2-12-8-11(3-4-14(12)17-7-1)9-13-10-16-6-5-15-13/h3-4,8,13,15H,1-2,5-7,9-10H2
InChIKeyASZPNERSKVLPJI-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine
CID 116941188
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
CID 116999266
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994141
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115209215
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
CID 150445494
(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine
CID 118936180
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116919885
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
2-(1,3-benzoxathiol-6-ylmethyl)pyrrolidine
CID 117316958

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine?
The IUPAC name of 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine (CID 116927974) is 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine?
The canonical SMILES for 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine is c1cc2c(cc1CC1COCCN1)CCCS2.
What is the InChIKey of 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine?
The InChIKey is ASZPNERSKVLPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-12-8-11(3-4-14(12)17-7-1)9-13-10-16-6-5-15-13/h3-4,8,13,15H,1-2,5-7,9-10H2.
What are the key properties of 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine?
3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine has a molecular weight of 249.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine is sourced from PubChem (CID 116927974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).