1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide

C12H17N3O3S — CID 81178892

IUPAC1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C12H17N3O3S/c1-14-19(17,18)10-5-3-9(4-6-10)15-11(16)12(13)7-2-8-12/h3-6,14H,2,7-8,13H2,1H3,(H,15,16)
InChIKeyQCLREMCJZGKIRP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.41
Rot. Bonds4

About 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide

1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 81178892) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
PubChem CID81178892
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C12H17N3O3S/c1-14-19(17,18)10-5-3-9(4-6-10)15-11(16)12(13)7-2-8-12/h3-6,14H,2,7-8,13H2,1H3,(H,15,16)
InChIKeyQCLREMCJZGKIRP-UHFFFAOYSA-N
XLogP0.41
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 63121716
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
1-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119287766
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
CID 81179172
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 81178954
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide (CID 81178892) is 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)C2(N)CCC2)cc1.
What is the InChIKey of 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is QCLREMCJZGKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-14-19(17,18)10-5-3-9(4-6-10)15-11(16)12(13)7-2-8-12/h3-6,14H,2,7-8,13H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide?
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81178892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).