2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide

C8H19N3O2S2 — CID 61454018

IUPAC2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
SMILESCC(C)N(C)S(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-6(2)11(5)15(12,13)10-8(3,4)7(9)14/h6,10H,1-5H3,(H2,9,14)
InChIKeyYVVSSMBILKTEMP-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.23
Rot. Bonds5

About 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide

2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide (PubChem CID 61454018) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
PubChem CID61454018
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
SMILESCC(C)N(C)S(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-6(2)11(5)15(12,13)10-8(3,4)7(9)14/h6,10H,1-5H3,(H2,9,14)
InChIKeyYVVSSMBILKTEMP-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.23
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 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
The IUPAC name of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide (CID 61454018) is 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide.
What is the SMILES notation for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
The canonical SMILES for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide is CC(C)N(C)S(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
The InChIKey is YVVSSMBILKTEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-6(2)11(5)15(12,13)10-8(3,4)7(9)14/h6,10H,1-5H3,(H2,9,14).
What are the key properties of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide is sourced from PubChem (CID 61454018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).