1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C17H23N3O4S — CID 41308319

IUPAC1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H23N3O4S/c1-11-10-15(11)17(22)20-8-6-12(7-9-20)16(21)19-13-2-4-14(5-3-13)25(18,23)24/h2-5,11-12,15H,6-10H2,1H3,(H,19,21)(H2,18,23,24)/t11-,15+/m1/s1
InChIKeyZAASXZLHMMFRMZ-ABAIWWIYSA-N
MW365.46 g/mol
LogP1.17
Rot. Bonds4

About 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 41308319) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID41308319
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H23N3O4S/c1-11-10-15(11)17(22)20-8-6-12(7-9-20)16(21)19-13-2-4-14(5-3-13)25(18,23)24/h2-5,11-12,15H,6-10H2,1H3,(H,19,21)(H2,18,23,24)/t11-,15+/m1/s1
InChIKeyZAASXZLHMMFRMZ-ABAIWWIYSA-N
XLogP1.17
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529
1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide
CID 41134383
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 40964120
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26454873
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
1-[(E)-3-(3-bromophenyl)prop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26454870

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 41308319) is 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is C[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is ZAASXZLHMMFRMZ-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11-10-15(11)17(22)20-8-6-12(7-9-20)16(21)19-13-2-4-14(5-3-13)25(18,23)24/h2-5,11-12,15H,6-10H2,1H3,(H,19,21)(H2,18,23,24)/t11-,15+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 41308319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).