N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

C15H23N3O3S — CID 119422947

IUPACN-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C15H23N3O3S/c1-11-3-4-14(17-22(2,20)21)13(9-11)15(19)18-7-5-12(10-16)6-8-18/h3-4,9,12,17H,5-8,10,16H2,1-2H3
InChIKeyQBLUOZMSWCLGGC-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.18
Rot. Bonds4

About N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 119422947) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
PubChem CID119422947
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C15H23N3O3S/c1-11-3-4-14(17-22(2,20)21)13(9-11)15(19)18-7-5-12(10-16)6-8-18/h3-4,9,12,17H,5-8,10,16H2,1-2H3
InChIKeyQBLUOZMSWCLGGC-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 119621812
N-[2-(1,4-diazepane-1-carbonyl)-4-methylphenyl]methanesulfonamide
CID 119414359
N-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]-4-fluorophenyl]methanesulfonamide;hydrochloride
CID 119644374
6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175296
N-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-methylphenyl]methanesulfonamide
CID 120659577
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119484827
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
3-imino-3-[1-[2-(methanesulfonamido)-5-methylbenzoyl]piperidin-2-yl]propanimidamide
CID 123927090
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 119422947) is N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC(CN)CC2)c1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The InChIKey is QBLUOZMSWCLGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-3-4-14(17-22(2,20)21)13(9-11)15(19)18-7-5-12(10-16)6-8-18/h3-4,9,12,17H,5-8,10,16H2,1-2H3.
What are the key properties of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 119422947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).