2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide

C12H16N2OS — CID 82239236

IUPAC2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CC1N
InChIInChI=1S/C12H16N2OS/c1-2-16-11-6-4-3-5-10(11)14-12(15)8-7-9(8)13/h3-6,8-9H,2,7,13H2,1H3,(H,14,15)
InChIKeyJVCAWFWNGNUTEG-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.08
Rot. Bonds4

About 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide

2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 82239236) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID82239236
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CC1N
InChIInChI=1S/C12H16N2OS/c1-2-16-11-6-4-3-5-10(11)14-12(15)8-7-9(8)13/h3-6,8-9H,2,7,13H2,1H3,(H,14,15)
InChIKeyJVCAWFWNGNUTEG-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64823573
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CID 82239256
N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
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N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
(3R)-N-(2-ethylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463995
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
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CID 28577649

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide (CID 82239236) is 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide is CCSc1ccccc1NC(=O)C1CC1N.
What is the InChIKey of 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JVCAWFWNGNUTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-16-11-6-4-3-5-10(11)14-12(15)8-7-9(8)13/h3-6,8-9H,2,7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide?
2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 82239236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).