5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C17H22N2S — CID 3066252

IUPAC5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCCCN1CC=C(c2c[nH]c3ccc(SC)cc23)CC1
InChIInChI=1S/C17H22N2S/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-5-4-14(20-2)11-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyQRATYCVZAKKNDY-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.39
Rot. Bonds4

About 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 3066252) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID3066252
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCCCN1CC=C(c2c[nH]c3ccc(SC)cc23)CC1
InChIInChI=1S/C17H22N2S/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-5-4-14(20-2)11-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyQRATYCVZAKKNDY-UHFFFAOYSA-N
XLogP4.39
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-butoxyphenyl)sulfanyl-3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 19710019
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
5-methoxy-3-[1-[(1-propyltetrazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71940510
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride
CID 67759105
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate
CID 15951273
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 3066252) is 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CCCN1CC=C(c2c[nH]c3ccc(SC)cc23)CC1.
What is the InChIKey of 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is QRATYCVZAKKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-5-4-14(20-2)11-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3.
What are the key properties of 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 286.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 3066252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).