1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine

C14H21NO2S — CID 876436

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C14H21NO2S/c1-11-6-8-15(9-7-11)18(16,17)14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyANNZVVIHJCZDHC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.72
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine (PubChem CID 876436) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
PubChem CID876436
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C14H21NO2S/c1-11-6-8-15(9-7-11)18(16,17)14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyANNZVVIHJCZDHC-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(3,4-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941465
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083123
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
CID 60819969
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine (CID 876436) is 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is ANNZVVIHJCZDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-6-8-15(9-7-11)18(16,17)14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine?
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 876436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).