N-carbamothioyl-2-cyclopentylacetamide

C8H14N2OS — CID 23547678

IUPACN-carbamothioyl-2-cyclopentylacetamide
SMILESNC(=S)NC(=O)CC1CCCC1
InChIInChI=1S/C8H14N2OS/c9-8(12)10-7(11)5-6-3-1-2-4-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyLTRMTTIILSRYHN-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.93
Rot. Bonds2

About N-carbamothioyl-2-cyclopentylacetamide

N-carbamothioyl-2-cyclopentylacetamide (PubChem CID 23547678) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-carbamothioyl-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-carbamothioyl-2-cyclopentylacetamide
PubChem CID23547678
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-carbamothioyl-2-cyclopentylacetamide
SMILESNC(=S)NC(=O)CC1CCCC1
InChIInChI=1S/C8H14N2OS/c9-8(12)10-7(11)5-6-3-1-2-4-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyLTRMTTIILSRYHN-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.93
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-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
2-cyclodecylacetamide
CID 150110792
2-cyclohexylethanethioamide
CID 18755158
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
(3-cyclohexylpropanoylamino)thiourea
CID 65214782
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-(2-aminocyclopropyl)-2-cyclopentylacetamide
CID 60775753
2-cyclobutylethanethioamide
CID 22140983
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
2-cyclobutyl-N-methylacetamide
CID 57296172

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2-cyclopentylacetamide?
The IUPAC name of N-carbamothioyl-2-cyclopentylacetamide (CID 23547678) is N-carbamothioyl-2-cyclopentylacetamide.
What is the SMILES notation for N-carbamothioyl-2-cyclopentylacetamide?
The canonical SMILES for N-carbamothioyl-2-cyclopentylacetamide is NC(=S)NC(=O)CC1CCCC1.
What is the InChIKey of N-carbamothioyl-2-cyclopentylacetamide?
The InChIKey is LTRMTTIILSRYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c9-8(12)10-7(11)5-6-3-1-2-4-6/h6H,1-5H2,(H3,9,10,11,12).
What are the key properties of N-carbamothioyl-2-cyclopentylacetamide?
N-carbamothioyl-2-cyclopentylacetamide has a molecular weight of 186.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2-cyclopentylacetamide is sourced from PubChem (CID 23547678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).