1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide

C13H22N2OS2 — CID 114123290

IUPAC1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide
SMILESCSC1CCC(NC(=O)C2(C(N)=S)CCCC2)C1
InChIInChI=1S/C13H22N2OS2/c1-18-10-5-4-9(8-10)15-12(16)13(11(14)17)6-2-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyMXLASQKQIFRYNU-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.23
Rot. Bonds4

About 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide

1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide (PubChem CID 114123290) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide
PubChem CID114123290
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Name1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide
SMILESCSC1CCC(NC(=O)C2(C(N)=S)CCCC2)C1
InChIInChI=1S/C13H22N2OS2/c1-18-10-5-4-9(8-10)15-12(16)13(11(14)17)6-2-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyMXLASQKQIFRYNU-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide (CID 114123290) is 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide is CSC1CCC(NC(=O)C2(C(N)=S)CCCC2)C1.
What is the InChIKey of 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
The InChIKey is MXLASQKQIFRYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-18-10-5-4-9(8-10)15-12(16)13(11(14)17)6-2-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide has a molecular weight of 286.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114123290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).