1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide

C13H19N3O4S — CID 81442189

IUPAC1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCCCC2C(N)=O)ccc1N
InChIInChI=1S/C13H19N3O4S/c1-20-12-8-9(5-6-10(12)14)21(18,19)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7,14H2,1H3,(H2,15,17)
InChIKeyLCSWBXTZQZSSLW-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.31
Rot. Bonds4

About 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide

1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 81442189) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID81442189
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCCCC2C(N)=O)ccc1N
InChIInChI=1S/C13H19N3O4S/c1-20-12-8-9(5-6-10(12)14)21(18,19)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7,14H2,1H3,(H2,15,17)
InChIKeyLCSWBXTZQZSSLW-UHFFFAOYSA-N
XLogP0.31
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide (CID 81442189) is 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide is COc1cc(S(=O)(=O)N2CCCCC2C(N)=O)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is LCSWBXTZQZSSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-12-8-9(5-6-10(12)14)21(18,19)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7,14H2,1H3,(H2,15,17).
What are the key properties of 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 81442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).