1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide

C12H16N2O3S — CID 65466585

IUPAC1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-18(16,17)10-5-3-9(4-6-10)14-11(15)12(13)7-8-12/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyRLBQAQXAEWKYIY-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.91
Rot. Bonds4

About 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide

1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 65466585) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID65466585
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-18(16,17)10-5-3-9(4-6-10)14-11(15)12(13)7-8-12/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyRLBQAQXAEWKYIY-UHFFFAOYSA-N
XLogP0.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596237
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
CID 81171823
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
1-amino-N-(4-ethyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119755602
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide (CID 65466585) is 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RLBQAQXAEWKYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-18(16,17)10-5-3-9(4-6-10)14-11(15)12(13)7-8-12/h3-6H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide?
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65466585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).