1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide

C13H22N2OS — CID 55037676

IUPAC1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C13H22N2OS/c14-11(17)13(8-4-5-9-13)12(16)15-10-6-2-1-3-7-10/h10H,1-9H2,(H2,14,17)(H,15,16)
InChIKeyOENRSGTZBCQMAN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.28
Rot. Bonds3

About 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide

1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide (PubChem CID 55037676) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide
PubChem CID55037676
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C13H22N2OS/c14-11(17)13(8-4-5-9-13)12(16)15-10-6-2-1-3-7-10/h10H,1-9H2,(H2,14,17)(H,15,16)
InChIKeyOENRSGTZBCQMAN-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide (CID 55037676) is 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide is NC(=S)C1(C(=O)NC2CCCCC2)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide?
The InChIKey is OENRSGTZBCQMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c14-11(17)13(8-4-5-9-13)12(16)15-10-6-2-1-3-7-10/h10H,1-9H2,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide?
1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide is sourced from PubChem (CID 55037676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).