N-methylsulfonylcyclohexanecarbothioamide

C8H15NO2S2 — CID 91348073

IUPACN-methylsulfonylcyclohexanecarbothioamide
SMILESCS(=O)(=O)NC(=S)C1CCCCC1
InChIInChI=1S/C8H15NO2S2/c1-13(10,11)9-8(12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,12)
InChIKeyPNTDFYGUXYWBSZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.44
Rot. Bonds2

About N-methylsulfonylcyclohexanecarbothioamide

N-methylsulfonylcyclohexanecarbothioamide (PubChem CID 91348073) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methylsulfonylcyclohexanecarbothioamide.

Molecular Properties

Compound NameN-methylsulfonylcyclohexanecarbothioamide
PubChem CID91348073
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC NameN-methylsulfonylcyclohexanecarbothioamide
SMILESCS(=O)(=O)NC(=S)C1CCCCC1
InChIInChI=1S/C8H15NO2S2/c1-13(10,11)9-8(12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,12)
InChIKeyPNTDFYGUXYWBSZ-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Methanesulfonamido)-4-methylcyclohexane-1-carbothioamide
CID 61124073
1-(Methanesulfonamido)cyclohexane-1-carbothioamide
CID 61124662
1-(3-Methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
1-(2-Methylpropylsulfonylamino)cyclohexane-1-carbothioamide
CID 64478404
2-[(1-Methylcyclohexyl)sulfamoyl]butanethioamide
CID 65565571
2-[(1-Methylcyclohexyl)sulfamoyl]propanethioamide
CID 65565572
2-[(1-Methylcyclohexyl)sulfamoyl]ethanethioamide
CID 65565573
2-(Cyclohexylmethylsulfamoyl)butanethioamide
CID 65566579
2-(Cyclohexylmethylsulfamoyl)propanethioamide
CID 65566580
3-Methylsulfonylcyclohexane-1-carbothioamide
CID 80056348

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylcyclohexanecarbothioamide?
The IUPAC name of N-methylsulfonylcyclohexanecarbothioamide (CID 91348073) is N-methylsulfonylcyclohexanecarbothioamide.
What is the SMILES notation for N-methylsulfonylcyclohexanecarbothioamide?
The canonical SMILES for N-methylsulfonylcyclohexanecarbothioamide is CS(=O)(=O)NC(=S)C1CCCCC1.
What is the InChIKey of N-methylsulfonylcyclohexanecarbothioamide?
The InChIKey is PNTDFYGUXYWBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-13(10,11)9-8(12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,12).
What are the key properties of N-methylsulfonylcyclohexanecarbothioamide?
N-methylsulfonylcyclohexanecarbothioamide has a molecular weight of 221.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylcyclohexanecarbothioamide is sourced from PubChem (CID 91348073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).