N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide

C15H23N3O3S — CID 119306484

IUPACN-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-10-22(20,21)18-14-7-5-13(6-8-14)17-15(19)12-4-3-9-16-11-12/h5-8,12,16,18H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyNGWAPMZSPHRVOD-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.78
Rot. Bonds6

About N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide

N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide (PubChem CID 119306484) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
PubChem CID119306484
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-10-22(20,21)18-14-7-5-13(6-8-14)17-15(19)12-4-3-9-16-11-12/h5-8,12,16,18H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyNGWAPMZSPHRVOD-UHFFFAOYSA-N
XLogP1.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 166001356
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 119287765
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide (CID 119306484) is N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide is CCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is NGWAPMZSPHRVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-10-22(20,21)18-14-7-5-13(6-8-14)17-15(19)12-4-3-9-16-11-12/h5-8,12,16,18H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide?
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119306484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).