1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide

C19H32N2O2S — CID 110403434

IUPAC1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(CC(C)C)N1CCCCC1
InChIInChI=1S/C19H32N2O2S/c1-16(2)13-19(21-11-7-4-8-12-21)14-20-24(22,23)15-18-10-6-5-9-17(18)3/h5-6,9-10,16,19-20H,4,7-8,11-15H2,1-3H3
InChIKeyKUYNHLGZHKKFLF-UHFFFAOYSA-N
MW352.54 g/mol
LogP3.32
Rot. Bonds8

About 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide

1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide (PubChem CID 110403434) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide
PubChem CID110403434
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(CC(C)C)N1CCCCC1
InChIInChI=1S/C19H32N2O2S/c1-16(2)13-19(21-11-7-4-8-12-21)14-20-24(22,23)15-18-10-6-5-9-17(18)3/h5-6,9-10,16,19-20H,4,7-8,11-15H2,1-3H3
InChIKeyKUYNHLGZHKKFLF-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 110403948
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
N-(4-methyl-2-pyrrolidin-1-ylpentyl)propane-1-sulfonamide
CID 110403539
1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 62021095
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-1-(2-methylphenyl)methanesulfonamide
CID 110349138
N-(4-methyl-2-piperidin-1-ylpentyl)-3-nitrobenzenesulfonamide
CID 110403448
4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403598
1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
CID 110286886
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-[1-(2-methylphenyl)pentan-2-yl]piperidine
CID 176959434
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112503228
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide (CID 110403434) is 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCC(CC(C)C)N1CCCCC1.
What is the InChIKey of 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide?
The InChIKey is KUYNHLGZHKKFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-16(2)13-19(21-11-7-4-8-12-21)14-20-24(22,23)15-18-10-6-5-9-17(18)3/h5-6,9-10,16,19-20H,4,7-8,11-15H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide?
1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide has a molecular weight of 352.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide is sourced from PubChem (CID 110403434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).