2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C12H23NO2S — CID 106778104

IUPAC2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCS(=O)(=O)CCCC1CCC2CCCC2N1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)9-3-5-11-8-7-10-4-2-6-12(10)13-11/h10-13H,2-9H2,1H3
InChIKeyRUWDLLRXWWNTBQ-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 106778104) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID106778104
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCS(=O)(=O)CCCC1CCC2CCCC2N1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)9-3-5-11-8-7-10-4-2-6-12(10)13-11/h10-13H,2-9H2,1H3
InChIKeyRUWDLLRXWWNTBQ-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471
6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
CID 112574146
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-4-methylsulfonylbutan-1-one
CID 116585969
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-2-ylmethanethiol
CID 89216652
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-methylsulfonylethanamine
CID 79863863
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2-methylpropan-2-amine
CID 66470012
2-[(4-tert-butylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778586
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine
CID 66470617
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
CID 66471620
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 106778104) is 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CS(=O)(=O)CCCC1CCC2CCCC2N1.
What is the InChIKey of 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is RUWDLLRXWWNTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-16(14,15)9-3-5-11-8-7-10-4-2-6-12(10)13-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 245.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 106778104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).