N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide

C13H19N3O3S — CID 60945770

IUPACN-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3
InChIKeyCEHCQTXAHUKCFW-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.42
Rot. Bonds3

About N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide

N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 60945770) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
PubChem CID60945770
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3
InChIKeyCEHCQTXAHUKCFW-UHFFFAOYSA-N
XLogP0.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
2-fluoro-5-[3-(methanesulfonamido)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55930964

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide (CID 60945770) is N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2ccc(N)cc2)C1.
What is the InChIKey of N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is CEHCQTXAHUKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3.
What are the key properties of N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 60945770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).