1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C14H21N3O3S — CID 43577792

IUPAC1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2N)CC1
InChIInChI=1S/C14H21N3O3S/c1-10-3-4-13(12(15)9-10)21(19,20)17-7-5-11(6-8-17)14(18)16-2/h3-4,9,11H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyWQBBTDSYCGLNHF-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.72
Rot. Bonds3

About 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 43577792) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID43577792
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2N)CC1
InChIInChI=1S/C14H21N3O3S/c1-10-3-4-13(12(15)9-10)21(19,20)17-7-5-11(6-8-17)14(18)16-2/h3-4,9,11H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyWQBBTDSYCGLNHF-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.72
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

1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112037
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
5-methyl-2-(4-methylazepan-1-yl)sulfonylaniline
CID 55248434
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119515400
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 43577792) is 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2N)CC1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is WQBBTDSYCGLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-3-4-13(12(15)9-10)21(19,20)17-7-5-11(6-8-17)14(18)16-2/h3-4,9,11H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43577792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).