N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide

C14H23N3O2S — CID 43551097

IUPACN-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)N2CCC(C)CC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-3-12-4-5-13(10-14(12)15)16-20(18,19)17-8-6-11(2)7-9-17/h4-5,10-11,16H,3,6-9,15H2,1-2H3
InChIKeyLKZPFSKWTIVUHM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.22
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide

N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 43551097) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID43551097
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)N2CCC(C)CC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-3-12-4-5-13(10-14(12)15)16-20(18,19)17-8-6-11(2)7-9-17/h4-5,10-11,16H,3,6-9,15H2,1-2H3
InChIKeyLKZPFSKWTIVUHM-UHFFFAOYSA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 116813743

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide (CID 43551097) is N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide is CCc1ccc(NS(=O)(=O)N2CCC(C)CC2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is LKZPFSKWTIVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-12-4-5-13(10-14(12)15)16-20(18,19)17-8-6-11(2)7-9-17/h4-5,10-11,16H,3,6-9,15H2,1-2H3.
What are the key properties of N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide?
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43551097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).