1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C14H21N3O3S — CID 29050686

IUPAC1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-7-12(15)8-13(10(9)2)21(19,20)17-5-3-11(4-6-17)14(16)18/h7-8,11H,3-6,15H2,1-2H3,(H2,16,18)
InChIKeyAVZSOONQFRQELX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.77
Rot. Bonds3

About 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide

1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 29050686) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID29050686
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-7-12(15)8-13(10(9)2)21(19,20)17-5-3-11(4-6-17)14(16)18/h7-8,11H,3-6,15H2,1-2H3,(H2,16,18)
InChIKeyAVZSOONQFRQELX-UHFFFAOYSA-N
XLogP0.77
TPSA106.49 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 ≤ 50.77
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-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 79897067
1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25252524
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 29050686) is 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(N)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C.
What is the InChIKey of 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AVZSOONQFRQELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-7-12(15)8-13(10(9)2)21(19,20)17-5-3-11(4-6-17)14(16)18/h7-8,11H,3-6,15H2,1-2H3,(H2,16,18).
What are the key properties of 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 29050686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).