N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide

C17H26N2O3S — CID 110819327

IUPACN-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-5-17(20)19-10-8-16(9-11-19)18-23(21,22)13-15-7-4-6-14(2)12-15/h4,6-7,12,16,18H,3,5,8-11,13H2,1-2H3
InChIKeyBCNNIYDEUGXFQP-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.21
Rot. Bonds6

About N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide

N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110819327) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110819327
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-5-17(20)19-10-8-16(9-11-19)18-23(21,22)13-15-7-4-6-14(2)12-15/h4,6-7,12,16,18H,3,5,8-11,13H2,1-2H3
InChIKeyBCNNIYDEUGXFQP-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
CID 69009615
1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 99819249
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873

Frequently Asked Questions

What is the IUPAC name of N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide (CID 110819327) is N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide is CCCC(=O)N1CCC(NS(=O)(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is BCNNIYDEUGXFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-5-17(20)19-10-8-16(9-11-19)18-23(21,22)13-15-7-4-6-14(2)12-15/h4,6-7,12,16,18H,3,5,8-11,13H2,1-2H3.
What are the key properties of N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110819327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).