N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C16H28N2OS — CID 103798035

IUPACN-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H28N2OS/c1-2-20-15-9-5-8-13(15)18-16(19)14-10-11-6-3-4-7-12(11)17-14/h11-15,17H,2-10H2,1H3,(H,18,19)
InChIKeyAAZKMTSMMLTKKX-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.70
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 103798035) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID103798035
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H28N2OS/c1-2-20-15-9-5-8-13(15)18-16(19)14-10-11-6-3-4-7-12(11)17-14/h11-15,17H,2-10H2,1H3,(H,18,19)
InChIKeyAAZKMTSMMLTKKX-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64812504
N-(2-ethylsulfanylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119343690
N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103812895
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24711712
N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833311
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119334927
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
CID 103812899
N-(1-acetylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119112186
N-(1-ethylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119831836
N-(3-methylsulfanylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119329950
N-(thian-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119313222
N-(4-hydroxycyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24706207

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 103798035) is N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CCSC1CCCC1NC(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is AAZKMTSMMLTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-2-20-15-9-5-8-13(15)18-16(19)14-10-11-6-3-4-7-12(11)17-14/h11-15,17H,2-10H2,1H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 296.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 103798035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).