1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide

C10H18N2OS — CID 80592521

IUPAC1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H18N2OS/c1-6(2)7(3)12-9(13)10(4-5-10)8(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyIILSDZFVEXASNE-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.21
Rot. Bonds4

About 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80592521) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID80592521
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H18N2OS/c1-6(2)7(3)12-9(13)10(4-5-10)8(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyIILSDZFVEXASNE-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
CID 63836744
1-carbamothioyl-N-(3,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 104828379
methyl 2-[(1-carbamothioylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 80589000
1-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 80589392
1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 80590171
1-carbamothioyl-N-[1-(4-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 80589221
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555
1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80589003
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
1-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 106281487

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide (CID 80592521) is 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide is CC(C)C(C)NC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is IILSDZFVEXASNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-6(2)7(3)12-9(13)10(4-5-10)8(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80592521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).