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

C10H20N2O3S — CID 60708278

IUPACN-(1-butanoylpiperidin-4-yl)methanesulfonamide
SMILESCCCC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-3-4-10(13)12-7-5-9(6-8-12)11-16(2,14)15/h9,11H,3-8H2,1-2H3
InChIKeyRCPVQPIOPWIVJL-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds4

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

N-(1-butanoylpiperidin-4-yl)methanesulfonamide (PubChem CID 60708278) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1-butanoylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-butanoylpiperidin-4-yl)methanesulfonamide
PubChem CID60708278
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(1-butanoylpiperidin-4-yl)methanesulfonamide
SMILESCCCC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-3-4-10(13)12-7-5-9(6-8-12)11-16(2,14)15/h9,11H,3-8H2,1-2H3
InChIKeyRCPVQPIOPWIVJL-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-butanoylpiperidin-4-yl)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

methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 79809795
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357

Frequently Asked Questions

What is the IUPAC name of N-(1-butanoylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of N-(1-butanoylpiperidin-4-yl)methanesulfonamide (CID 60708278) is N-(1-butanoylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1-butanoylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(1-butanoylpiperidin-4-yl)methanesulfonamide is CCCC(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-(1-butanoylpiperidin-4-yl)methanesulfonamide?
The InChIKey is RCPVQPIOPWIVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-4-10(13)12-7-5-9(6-8-12)11-16(2,14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(1-butanoylpiperidin-4-yl)methanesulfonamide?
N-(1-butanoylpiperidin-4-yl)methanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 4 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)methanesulfonamide is sourced from PubChem (CID 60708278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).