2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile

C18H23ClN2O2S — CID 58584556

IUPAC2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile
SMILESCC[C@H]1CCC[C@@H](C2(CC#N)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-2-15-4-3-5-17(18(10-11-18)12-13-20)21(15)24(22,23)16-8-6-14(19)7-9-16/h6-9,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1
InChIKeyRXNOZWMILDGNQI-RDJZCZTQSA-N
MW366.91 g/mol
LogP4.36
Rot. Bonds5

About 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile

2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile (PubChem CID 58584556) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile
PubChem CID58584556
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile
SMILESCC[C@H]1CCC[C@@H](C2(CC#N)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-2-15-4-3-5-17(18(10-11-18)12-13-20)21(15)24(22,23)16-8-6-14(19)7-9-16/h6-9,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1
InChIKeyRXNOZWMILDGNQI-RDJZCZTQSA-N
XLogP4.36
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile 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-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde
CID 58584523
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-(4-hydroxy-4-propylpiperidin-1-yl)ethanone
CID 11649179
[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl] 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58932380
methyl 2-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]prop-2-enoate
CID 58584473
1-(4-chlorophenyl)sulfonyl-2-(3,5-difluorocyclohexa-1,5-dien-1-yl)-6-(1-ethylcyclopropyl)piperidine
CID 163787302
(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one
CID 59342378
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonothioyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 70331533
[1-[(2R,6R)-6-ethyl-1-(4-methylphenyl)sulfonylpiperidin-2-yl]cyclopropyl] 4-methyl-4-piperidin-1-ylpiperidine-1-carboxylate
CID 143020445
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 11663646
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]ethanone
CID 11540894
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile (CID 58584556) is 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile is CC[C@H]1CCC[C@@H](C2(CC#N)CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile?
The InChIKey is RXNOZWMILDGNQI-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-2-15-4-3-5-17(18(10-11-18)12-13-20)21(15)24(22,23)16-8-6-14(19)7-9-16/h6-9,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile?
2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile has a molecular weight of 366.91 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile is sourced from PubChem (CID 58584556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).