1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine

C13H18ClNO2S — CID 18074509

IUPAC1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO2S/c1-10-6-11(2)9-15(8-10)18(16,17)13-5-3-4-12(14)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyKSAKTYYNUPGTHN-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.01
Rot. Bonds2

About 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine

1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 18074509) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID18074509
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO2S/c1-10-6-11(2)9-15(8-10)18(16,17)13-5-3-4-12(14)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyKSAKTYYNUPGTHN-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110413210
(4-chlorophenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 16548573
(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
CID 95739230
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
CID 133125721
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602234
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
(3R,5S)-1-[[7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-9,10-dinitroso-9,10-dihydroanthracen-2-yl]sulfonyl]-3,5-dimethylpiperidine
CID 91193182

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine (CID 18074509) is 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is KSAKTYYNUPGTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10-6-11(2)9-15(8-10)18(16,17)13-5-3-4-12(14)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine?
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 287.81 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 18074509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).