1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide

C14H18N2O2S — CID 107735320

IUPAC1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CC1)c1cc(O)ccc1C
InChIInChI=1S/C14H18N2O2S/c1-3-16(11-8-10(17)5-4-9(11)2)13(18)14(6-7-14)12(15)19/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,19)
InChIKeyUGSDHJVYPGKTJK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.12
Rot. Bonds4

About 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 107735320) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID107735320
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CC1)c1cc(O)ccc1C
InChIInChI=1S/C14H18N2O2S/c1-3-16(11-8-10(17)5-4-9(11)2)13(18)14(6-7-14)12(15)19/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,19)
InChIKeyUGSDHJVYPGKTJK-UHFFFAOYSA-N
XLogP2.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 107735318
1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide
CID 107735352
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107179782
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,3-dimethylbutanamide
CID 107734495
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
(2S)-2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 107734446
4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide
CID 107734511
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
CID 114753046
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 43210202

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide (CID 107735320) is 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide is CCN(C(=O)C1(C(N)=S)CC1)c1cc(O)ccc1C.
What is the InChIKey of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is UGSDHJVYPGKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-16(11-8-10(17)5-4-9(11)2)13(18)14(6-7-14)12(15)19/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,19).
What are the key properties of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107735320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).