6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine

C16H23NOS — CID 114712825

IUPAC6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
SMILESCCCNC1CC2(CCSC2)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NOS/c1-3-7-17-14-10-16(6-8-19-11-16)18-15-5-4-12(2)9-13(14)15/h4-5,9,14,17H,3,6-8,10-11H2,1-2H3
InChIKeyIGLFSRVOGXSNQX-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.69
Rot. Bonds3

About 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine

6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine (PubChem CID 114712825) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine.

Molecular Properties

Compound Name6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
PubChem CID114712825
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
SMILESCCCNC1CC2(CCSC2)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NOS/c1-3-7-17-14-10-16(6-8-19-11-16)18-15-5-4-12(2)9-13(14)15/h4-5,9,14,17H,3,6-8,10-11H2,1-2H3
InChIKeyIGLFSRVOGXSNQX-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114711066
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The IUPAC name of 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine (CID 114712825) is 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine.
What is the SMILES notation for 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The canonical SMILES for 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine is CCCNC1CC2(CCSC2)Oc2ccc(C)cc21.
What is the InChIKey of 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The InChIKey is IGLFSRVOGXSNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-7-17-14-10-16(6-8-19-11-16)18-15-5-4-12(2)9-13(14)15/h4-5,9,14,17H,3,6-8,10-11H2,1-2H3.
What are the key properties of 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine has a molecular weight of 277.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine is sourced from PubChem (CID 114712825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).