1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide

C13H18N2OS — CID 115189626

IUPAC1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Sc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-9(2)17-11-5-3-10(4-6-11)15-12(16)13(14)7-8-13/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyVYSRCTULKPMOIA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.62
Rot. Bonds4

About 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide

1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 115189626) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID115189626
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Sc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-9(2)17-11-5-3-10(4-6-11)15-12(16)13(14)7-8-13/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyVYSRCTULKPMOIA-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703596
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
CID 119769572
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide (CID 115189626) is 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide is CC(C)Sc1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VYSRCTULKPMOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(2)17-11-5-3-10(4-6-11)15-12(16)13(14)7-8-13/h3-6,9H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide?
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115189626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).