N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide

C14H21N3O3S — CID 60944716

IUPACN-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-10-13-7-2-3-8-17(13)14(18)11-5-4-6-12(15)9-11/h4-6,9,13,16H,2-3,7-8,10,15H2,1H3
InChIKeyKMFSXRSCKWNQKU-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.81
Rot. Bonds4

About N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 60944716) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID60944716
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-10-13-7-2-3-8-17(13)14(18)11-5-4-6-12(15)9-11/h4-6,9,13,16H,2-3,7-8,10,15H2,1H3
InChIKeyKMFSXRSCKWNQKU-UHFFFAOYSA-N
XLogP0.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.81
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-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073491
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
CID 43073423
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide (CID 60944716) is N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)c1cccc(N)c1.
What is the InChIKey of N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is KMFSXRSCKWNQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)16-10-13-7-2-3-8-17(13)14(18)11-5-4-6-12(15)9-11/h4-6,9,13,16H,2-3,7-8,10,15H2,1H3.
What are the key properties of N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 60944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).