1-(dimethylsulfamoyl)piperidine-4-carbothioamide

C8H17N3O2S2 — CID 39354987

IUPAC1-(dimethylsulfamoyl)piperidine-4-carbothioamide
SMILESCN(C)S(=O)(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C8H17N3O2S2/c1-10(2)15(12,13)11-5-3-7(4-6-11)8(9)14/h7H,3-6H2,1-2H3,(H2,9,14)
InChIKeyCKNLQKOGDUNENK-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.21
Rot. Bonds3

About 1-(dimethylsulfamoyl)piperidine-4-carbothioamide

1-(dimethylsulfamoyl)piperidine-4-carbothioamide (PubChem CID 39354987) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)piperidine-4-carbothioamide
PubChem CID39354987
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name1-(dimethylsulfamoyl)piperidine-4-carbothioamide
SMILESCN(C)S(=O)(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C8H17N3O2S2/c1-10(2)15(12,13)11-5-3-7(4-6-11)8(9)14/h7H,3-6H2,1-2H3,(H2,9,14)
InChIKeyCKNLQKOGDUNENK-UHFFFAOYSA-N
XLogP-0.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
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-(dimethylsulfamoyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(dimethylsulfamoyl)piperidine-4-carbothioamide (CID 39354987) is 1-(dimethylsulfamoyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(dimethylsulfamoyl)piperidine-4-carbothioamide is CN(C)S(=O)(=O)N1CCC(C(N)=S)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)piperidine-4-carbothioamide?
The InChIKey is CKNLQKOGDUNENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-10(2)15(12,13)11-5-3-7(4-6-11)8(9)14/h7H,3-6H2,1-2H3,(H2,9,14).
What are the key properties of 1-(dimethylsulfamoyl)piperidine-4-carbothioamide?
1-(dimethylsulfamoyl)piperidine-4-carbothioamide has a molecular weight of 251.38 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)piperidine-4-carbothioamide is sourced from PubChem (CID 39354987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).