(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine

C14H20ClNO3S — CID 27244442

IUPAC(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-10-6-11(2)9-16(8-10)20(17,18)12-4-5-13(15)14(7-12)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyLSOLPQBJCHSVAZ-QWRGUYRKSA-N
MW317.84 g/mol
LogP3.02
Rot. Bonds3

About (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine

(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 27244442) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID27244442
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-10-6-11(2)9-16(8-10)20(17,18)12-4-5-13(15)14(7-12)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyLSOLPQBJCHSVAZ-QWRGUYRKSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 25248844
(3S,5S)-1-(3,4-dipropoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 95864977
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576375
(3R,5R)-1-(2-methoxy-4-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 39618064

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine (CID 27244442) is (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine is COc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl.
What is the InChIKey of (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is LSOLPQBJCHSVAZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-6-11(2)9-16(8-10)20(17,18)12-4-5-13(15)14(7-12)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 317.84 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 27244442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).