(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine

C13H19NO2S — CID 668967

IUPAC(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-5-7-13(8-6-11)17(15,16)14-9-3-4-12(2)10-14/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyAPEUUQFQRICNLZ-LBPRGKRZSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds2

About (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine

(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 668967) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID668967
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-5-7-13(8-6-11)17(15,16)14-9-3-4-12(2)10-14/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyAPEUUQFQRICNLZ-LBPRGKRZSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.42
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-phenylphenyl)sulfonylpiperidine
CID 40714493
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204
3-bromo-1-(4-methylphenyl)sulfonylpiperidine
CID 80676007
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
1-(4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825912
1-(4-methylphenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846066

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine (CID 668967) is (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1.
What is the InChIKey of (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is APEUUQFQRICNLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-5-7-13(8-6-11)17(15,16)14-9-3-4-12(2)10-14/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 668967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).