1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

C11H20N2OS2 — CID 63959127

IUPAC1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C11H20N2OS2/c1-16-8-7-13-10(14)11(9(12)15)5-3-2-4-6-11/h2-8H2,1H3,(H2,12,15)(H,13,14)
InChIKeyICKALUCEDZOPPJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.70
Rot. Bonds5

About 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (PubChem CID 63959127) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
PubChem CID63959127
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C11H20N2OS2/c1-16-8-7-13-10(14)11(9(12)15)5-3-2-4-6-11/h2-8H2,1H3,(H2,12,15)(H,13,14)
InChIKeyICKALUCEDZOPPJ-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (CID 63959127) is 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is CSCCNC(=O)C1(C(N)=S)CCCCC1.
What is the InChIKey of 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The InChIKey is ICKALUCEDZOPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-16-8-7-13-10(14)11(9(12)15)5-3-2-4-6-11/h2-8H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide has a molecular weight of 260.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63959127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).