2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide

C21H34N2O2S — CID 146627889

IUPAC2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCC(N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C21H34N2O2S/c1-15-9-11-23(12-10-15)20-7-5-19(6-8-20)22-26(24,25)21-17(3)13-16(2)14-18(21)4/h13-15,19-20,22H,5-12H2,1-4H3
InChIKeyXPKVMMWSXDOZOA-UHFFFAOYSA-N
MW378.58 g/mol
LogP3.93
Rot. Bonds4

About 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide

2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 146627889) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID146627889
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC Name2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCC(N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C21H34N2O2S/c1-15-9-11-23(12-10-15)20-7-5-19(6-8-20)22-26(24,25)21-17(3)13-16(2)14-18(21)4/h13-15,19-20,22H,5-12H2,1-4H3
InChIKeyXPKVMMWSXDOZOA-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
2,4,6-Trimethyl-N-[(1S)-1-methyl-3-phenylpropyl]benzenesulfonamide
CID 7275458
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408
1-(Mesitylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 118308425

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide (CID 146627889) is 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CCC(N3CCC(C)CC3)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is XPKVMMWSXDOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-15-9-11-23(12-10-15)20-7-5-19(6-8-20)22-26(24,25)21-17(3)13-16(2)14-18(21)4/h13-15,19-20,22H,5-12H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 378.58 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 146627889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).