2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide

C15H22N2O3S — CID 81171823

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CC2(CN)CCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)13-6-4-12(5-7-13)17-14(18)10-15(11-16)8-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyIOEVQZGDVZEJJN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.94
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 81171823) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID81171823
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CC2(CN)CCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)13-6-4-12(5-7-13)17-14(18)10-15(11-16)8-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyIOEVQZGDVZEJJN-UHFFFAOYSA-N
XLogP1.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 81179866
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
2-[1-(aminomethyl)cyclobutyl]-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 81171833
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
CID 113488863
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide (CID 81171823) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(NC(=O)CC2(CN)CCC2)cc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is IOEVQZGDVZEJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-21(19,20)13-6-4-12(5-7-13)17-14(18)10-15(11-16)8-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 81171823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).