1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide

C11H15N3O3S — CID 81178954

IUPAC1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2(N)CCC2)cn1
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)9-4-3-8(7-13-9)14-10(15)11(12)5-2-6-11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyYZWUDJGGFLTJSX-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.31
Rot. Bonds3

About 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide

1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 81178954) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
PubChem CID81178954
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2(N)CCC2)cn1
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)9-4-3-8(7-13-9)14-10(15)11(12)5-2-6-11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyYZWUDJGGFLTJSX-UHFFFAOYSA-N
XLogP0.31
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 64823132
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 119879398
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879397
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide (CID 81178954) is 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)C2(N)CCC2)cn1.
What is the InChIKey of 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is YZWUDJGGFLTJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-18(16,17)9-4-3-8(7-13-9)14-10(15)11(12)5-2-6-11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide?
1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81178954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).