1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide

C14H22N2OS — CID 80590816

IUPAC1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCC(C2CC2)C2CC2)CCC1
InChIInChI=1S/C14H22N2OS/c15-12(18)14(6-1-7-14)13(17)16-8-11(9-2-3-9)10-4-5-10/h9-11H,1-8H2,(H2,15,18)(H,16,17)
InChIKeyRTVGQPFRRZSLBT-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.00
Rot. Bonds6

About 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide (PubChem CID 80590816) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
PubChem CID80590816
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCC(C2CC2)C2CC2)CCC1
InChIInChI=1S/C14H22N2OS/c15-12(18)14(6-1-7-14)13(17)16-8-11(9-2-3-9)10-4-5-10/h9-11H,1-8H2,(H2,15,18)(H,16,17)
InChIKeyRTVGQPFRRZSLBT-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 115407173
1-carbamothioyl-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 62694585
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
CID 107418708
1-carbamothioyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80589199
1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80591203
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63958055
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide (CID 80590816) is 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide is NC(=S)C1(C(=O)NCC(C2CC2)C2CC2)CCC1.
What is the InChIKey of 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide?
The InChIKey is RTVGQPFRRZSLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-12(18)14(6-1-7-14)13(17)16-8-11(9-2-3-9)10-4-5-10/h9-11H,1-8H2,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80590816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).