1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide

C14H21N3O3S — CID 43257281

IUPAC1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1N
InChIInChI=1S/C14H21N3O3S/c1-2-10-5-6-12(8-13(10)15)21(19,20)17-7-3-4-11(9-17)14(16)18/h5-6,8,11H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyPRCJLKMKNPNUKV-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.72
Rot. Bonds4

About 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide

1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43257281) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43257281
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1N
InChIInChI=1S/C14H21N3O3S/c1-2-10-5-6-12(8-13(10)15)21(19,20)17-7-3-4-11(9-17)14(16)18/h5-6,8,11H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyPRCJLKMKNPNUKV-UHFFFAOYSA-N
XLogP0.72
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
(3S)-N-(2,6-diethylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40975789

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide (CID 43257281) is 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide is CCc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PRCJLKMKNPNUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-10-5-6-12(8-13(10)15)21(19,20)17-7-3-4-11(9-17)14(16)18/h5-6,8,11H,2-4,7,9,15H2,1H3,(H2,16,18).
What are the key properties of 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide?
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43257281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).