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

C11H14N2OS — CID 65465467

IUPAC1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C11H14N2OS/c1-15-9-4-2-8(3-5-9)13-10(14)11(12)6-7-11/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeySIJAMLAQAZBHEO-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.84
Rot. Bonds3

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

1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 65465467) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID65465467
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C11H14N2OS/c1-15-9-4-2-8(3-5-9)13-10(14)11(12)6-7-11/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeySIJAMLAQAZBHEO-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
CID 119769572
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 115183938
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508
(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone
CID 116924331
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide (CID 65465467) is 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide is CSc1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SIJAMLAQAZBHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-15-9-4-2-8(3-5-9)13-10(14)11(12)6-7-11/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).