3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one

C13H17NO3S — CID 117421840

IUPAC3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1S(=O)(=O)C1CCC1
InChIInChI=1S/C13H17NO3S/c14-9-8-12(15)11-6-1-2-7-13(11)18(16,17)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,14H2
InChIKeyROTBQDSKWHVPKX-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one

3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one (PubChem CID 117421840) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
PubChem CID117421840
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1S(=O)(=O)C1CCC1
InChIInChI=1S/C13H17NO3S/c14-9-8-12(15)11-6-1-2-7-13(11)18(16,17)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,14H2
InChIKeyROTBQDSKWHVPKX-UHFFFAOYSA-N
XLogP1.54
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 117391624
3-(2-cyclobutylsulfonylphenyl)propanoic acid
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(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
CID 117428997
3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one
CID 117316970
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
CID 142695066
[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
CID 117417974
1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
CID 117473650
3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
CID 117464194
methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
CID 117428957

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one (CID 117421840) is 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one is NCCC(=O)c1ccccc1S(=O)(=O)C1CCC1.
What is the InChIKey of 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one?
The InChIKey is ROTBQDSKWHVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c14-9-8-12(15)11-6-1-2-7-13(11)18(16,17)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,14H2.
What are the key properties of 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one?
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one has a molecular weight of 267.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 117421840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).