1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide

C13H18N2OS — CID 119769572

IUPAC1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
SMILESCSCCc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-17-9-6-10-2-4-11(5-3-10)15-12(16)13(14)7-8-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyKNUDYYAQIMVOTC-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.02
Rot. Bonds5

About 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide

1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119769572) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID119769572
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
SMILESCSCCc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-17-9-6-10-2-4-11(5-3-10)15-12(16)13(14)7-8-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyKNUDYYAQIMVOTC-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119315486
1-amino-N-[4-(3-phenylpropyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119769369
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
CID 111537938
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide (CID 119769572) is 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide is CSCCc1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is KNUDYYAQIMVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-9-6-10-2-4-11(5-3-10)15-12(16)13(14)7-8-13/h2-5H,6-9,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119769572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).