N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide

C14H18N2O2S — CID 2422869

IUPACN-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)N(CCO)Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O2S/c17-9-8-16(10-11-4-2-1-3-5-11)14(19)15-13(18)12-6-7-12/h1-5,12,17H,6-10H2,(H,15,18,19)
InChIKeyVOQTYPUWBBPAJF-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.29
Rot. Bonds5

About N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide

N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 2422869) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID2422869
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)N(CCO)Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O2S/c17-9-8-16(10-11-4-2-1-3-5-11)14(19)15-13(18)12-6-7-12/h1-5,12,17H,6-10H2,(H,15,18,19)
InChIKeyVOQTYPUWBBPAJF-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.29
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

N-[benzyl(2-cyanoethyl)carbamothioyl]cyclopropanecarboxamide
CID 43911968
ethyl 3-[benzyl(cyclohexanecarbonylcarbamothioyl)amino]propanoate
CID 43910805
N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide
CID 4942342
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
(E)-N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 6234874
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
1-benzyl-3-(2,6-diethylphenyl)-1-(2-hydroxyethyl)thiourea
CID 5020523
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523337
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
CID 6964229

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide (CID 2422869) is N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)N(CCO)Cc1ccccc1)C1CC1.
What is the InChIKey of N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is VOQTYPUWBBPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-9-8-16(10-11-4-2-1-3-5-11)14(19)15-13(18)12-6-7-12/h1-5,12,17H,6-10H2,(H,15,18,19).
What are the key properties of N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide?
N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2422869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).