1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide

C14H20N2O3S — CID 81172890

IUPAC1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(16-13(17)14(15)8-3-9-14)11-4-6-12(7-5-11)20(2,18)19/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyOFVWLKVDXAVBSC-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.15
Rot. Bonds4

About 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide

1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 81172890) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID81172890
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(16-13(17)14(15)8-3-9-14)11-4-6-12(7-5-11)20(2,18)19/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyOFVWLKVDXAVBSC-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
1-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299101
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143299
1-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143298
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide (CID 81172890) is 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(N)CCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is OFVWLKVDXAVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(16-13(17)14(15)8-3-9-14)11-4-6-12(7-5-11)20(2,18)19/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).