(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide

C19H25N3O4S — CID 1125529

IUPAC(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c20-27(25,26)15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)19(24)22-12-4-1-5-13-22/h2-3,8-11,16-17H,1,4-7,12-13H2,(H,21,23)(H2,20,25,26)/t16-,17-/m0/s1
InChIKeyDXPNWFRFMPQJTI-IRXDYDNUSA-N
MW391.49 g/mol
LogP1.87
Rot. Bonds4

About (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide

(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 1125529) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID1125529
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c20-27(25,26)15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)19(24)22-12-4-1-5-13-22/h2-3,8-11,16-17H,1,4-7,12-13H2,(H,21,23)(H2,20,25,26)/t16-,17-/m0/s1
InChIKeyDXPNWFRFMPQJTI-IRXDYDNUSA-N
XLogP1.87
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133659
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319
N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 19653686
(1S,6S)-6-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080158
(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 93083461
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133640

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide (CID 1125529) is (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCCCC2)cc1.
What is the InChIKey of (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DXPNWFRFMPQJTI-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H25N3O4S/c20-27(25,26)15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)19(24)22-12-4-1-5-13-22/h2-3,8-11,16-17H,1,4-7,12-13H2,(H,21,23)(H2,20,25,26)/t16-,17-/m0/s1.
What are the key properties of (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 1125529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).