3-[dimethylsulfamoyl(methyl)amino]propanethioamide

C6H15N3O2S2 — CID 28788440

IUPAC3-[dimethylsulfamoyl(methyl)amino]propanethioamide
SMILESCN(C)S(=O)(=O)N(C)CCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-8(2)13(10,11)9(3)5-4-6(7)12/h4-5H2,1-3H3,(H2,7,12)
InChIKeyRPQVQRYZVQSBJM-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.60
Rot. Bonds5

About 3-[dimethylsulfamoyl(methyl)amino]propanethioamide

3-[dimethylsulfamoyl(methyl)amino]propanethioamide (PubChem CID 28788440) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(methyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(methyl)amino]propanethioamide
PubChem CID28788440
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name3-[dimethylsulfamoyl(methyl)amino]propanethioamide
SMILESCN(C)S(=O)(=O)N(C)CCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-8(2)13(10,11)9(3)5-4-6(7)12/h4-5H2,1-3H3,(H2,7,12)
InChIKeyRPQVQRYZVQSBJM-UHFFFAOYSA-N
XLogP-0.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.60
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 3-[dimethylsulfamoyl(methyl)amino]propanethioamide?
The IUPAC name of 3-[dimethylsulfamoyl(methyl)amino]propanethioamide (CID 28788440) is 3-[dimethylsulfamoyl(methyl)amino]propanethioamide.
What is the SMILES notation for 3-[dimethylsulfamoyl(methyl)amino]propanethioamide?
The canonical SMILES for 3-[dimethylsulfamoyl(methyl)amino]propanethioamide is CN(C)S(=O)(=O)N(C)CCC(N)=S.
What is the InChIKey of 3-[dimethylsulfamoyl(methyl)amino]propanethioamide?
The InChIKey is RPQVQRYZVQSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-8(2)13(10,11)9(3)5-4-6(7)12/h4-5H2,1-3H3,(H2,7,12).
What are the key properties of 3-[dimethylsulfamoyl(methyl)amino]propanethioamide?
3-[dimethylsulfamoyl(methyl)amino]propanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(methyl)amino]propanethioamide is sourced from PubChem (CID 28788440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).