N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide

C13H19N3O3S — CID 95189601

IUPACN-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCC2)c1
InChIInChI=1S/C13H19N3O3S/c1-10(15-13(17)16-7-4-8-16)11-5-3-6-12(9-11)20(18,19)14-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyPOLMLUOJMFKQCP-SNVBAGLBSA-N
MW297.38 g/mol
LogP1.07
Rot. Bonds4

About N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide

N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide (PubChem CID 95189601) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
PubChem CID95189601
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCC2)c1
InChIInChI=1S/C13H19N3O3S/c1-10(15-13(17)16-7-4-8-16)11-5-3-6-12(9-11)20(18,19)14-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyPOLMLUOJMFKQCP-SNVBAGLBSA-N
XLogP1.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 146136068
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316345
3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97102694
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide (CID 95189601) is N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide is CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide?
The InChIKey is POLMLUOJMFKQCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10(15-13(17)16-7-4-8-16)11-5-3-6-12(9-11)20(18,19)14-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide?
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 95189601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).