2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine

C17H22N2S — CID 18007501

IUPAC2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(C3=CCSCC3)cc21
InChIInChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
InChIKeyDMVIFNBSEKFYMW-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.72
Rot. Bonds4

About 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine

2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine (PubChem CID 18007501) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine
PubChem CID18007501
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(C3=CCSCC3)cc21
InChIInChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
InChIKeyDMVIFNBSEKFYMW-UHFFFAOYSA-N
XLogP3.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylindole
CID 11781
1-Phenyl-1H-indole
CID 182029
1-methyl-N,N-dimethyltryptamine
CID 25927
2-(1H-indol-1-yl)ethanamine
CID 258690
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
(2-Indol-1-yl-ethyl)-dimethyl-amine
CID 15893127
[2-(3-Benzyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 20722800
4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol
CID 9796492
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzothiophene-3,4'-piperidine]
CID 10457448

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine (CID 18007501) is 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccc2ccc(C3=CCSCC3)cc21.
What is the InChIKey of 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DMVIFNBSEKFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3.
What are the key properties of 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,6-dihydro-2H-thiopyran-4-yl)indol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 18007501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).