(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine

C14H18ClNO2S — CID 70332287

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1C1CC1
InChIInChI=1S/C14H18ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-2-1-3-14(16)11-4-5-11/h6-9,11,14H,1-5,10H2/t14-/m0/s1
InChIKeyPIWDSOKEMWFIKJ-AWEZNQCLSA-N
MW299.82 g/mol
LogP3.29
Rot. Bonds3

About (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine

(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine (PubChem CID 70332287) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
PubChem CID70332287
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1C1CC1
InChIInChI=1S/C14H18ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-2-1-3-14(16)11-4-5-11/h6-9,11,14H,1-5,10H2/t14-/m0/s1
InChIKeyPIWDSOKEMWFIKJ-AWEZNQCLSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975
1-(3-bromo-4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 106610949
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
(4aR,8aS)-1-(2,6-dichlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926516
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 95241513
1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 54592723

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine (CID 70332287) is (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine is O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1C1CC1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine?
The InChIKey is PIWDSOKEMWFIKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-2-1-3-14(16)11-4-5-11/h6-9,11,14H,1-5,10H2/t14-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine?
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine has a molecular weight of 299.82 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine is sourced from PubChem (CID 70332287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).