(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine

C12H16ClNO2S — CID 710396

IUPAC(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3/t10-/m0/s1
InChIKeyBNGKTBVBWYCKAF-JTQLQIEISA-N
MW273.78 g/mol
LogP2.76
Rot. Bonds2

About (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine

(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine (PubChem CID 710396) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
PubChem CID710396
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3/t10-/m0/s1
InChIKeyBNGKTBVBWYCKAF-JTQLQIEISA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865653
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine (CID 710396) is (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine is C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
The InChIKey is BNGKTBVBWYCKAF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine has a molecular weight of 273.78 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 710396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).