1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide

C12H22N2OS — CID 80589572

IUPAC1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)CN(C(=O)C1(C(N)=S)CC1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-8(2)7-14(9(3)4)11(15)12(5-6-12)10(13)16/h8-9H,5-7H2,1-4H3,(H2,13,16)
InChIKeyPCOBBWGLTMPSAU-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.95
Rot. Bonds5

About 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide

1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 80589572) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID80589572
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)CN(C(=O)C1(C(N)=S)CC1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-8(2)7-14(9(3)4)11(15)12(5-6-12)10(13)16/h8-9H,5-7H2,1-4H3,(H2,13,16)
InChIKeyPCOBBWGLTMPSAU-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 76921426
N-butan-2-yl-N-butyl-1-carbamothioylcyclopropane-1-carboxamide
CID 80589820
1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 80591161
1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide
CID 103188958
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
CID 80594392
1-carbamothioyl-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80590089
1-carbamothioyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide
CID 80588880
1-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)cycloheptane-1-carboxamide
CID 78977160
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 80589184
1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
CID 80589688
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 80589572) is 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)CN(C(=O)C1(C(N)=S)CC1)C(C)C.
What is the InChIKey of 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is PCOBBWGLTMPSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)7-14(9(3)4)11(15)12(5-6-12)10(13)16/h8-9H,5-7H2,1-4H3,(H2,13,16).
What are the key properties of 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 80589572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).