1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide

C14H21N3O3S — CID 103194330

IUPAC1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(S(C)(=O)=O)cc2N)C1
InChIInChI=1S/C14H21N3O3S/c1-16-14(18)10-4-3-7-17(9-10)13-6-5-11(8-12(13)15)21(2,19)20/h5-6,8,10H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyKLIYKVZKVFNUTG-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.63
Rot. Bonds3

About 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194330) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194330
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(S(C)(=O)=O)cc2N)C1
InChIInChI=1S/C14H21N3O3S/c1-16-14(18)10-4-3-7-17(9-10)13-6-5-11(8-12(13)15)21(2,19)20/h5-6,8,10H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyKLIYKVZKVFNUTG-UHFFFAOYSA-N
XLogP0.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
[1-(2-amino-4-methylsulfonylphenyl)pyrrolidin-3-yl]methanol
CID 112623984
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
2-(2-methyl-1,4-oxazepan-4-yl)-5-methylsulfonylaniline
CID 55152193
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide (CID 103194330) is 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(S(C)(=O)=O)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is KLIYKVZKVFNUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16-14(18)10-4-3-7-17(9-10)13-6-5-11(8-12(13)15)21(2,19)20/h5-6,8,10H,3-4,7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).