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

C7H17N3O2S2 — CID 61454019

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
SMILESCC(NS(=O)(=O)N(C)C(C)C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-5(2)10(4)14(11,12)9-6(3)7(8)13/h5-6,9H,1-4H3,(H2,8,13)
InChIKeyQIEPXTGYRCRSNJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.16
Rot. Bonds5

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

2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide (PubChem CID 61454019) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
PubChem CID61454019
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
SMILESCC(NS(=O)(=O)N(C)C(C)C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-5(2)10(4)14(11,12)9-6(3)7(8)13/h5-6,9H,1-4H3,(H2,8,13)
InChIKeyQIEPXTGYRCRSNJ-UHFFFAOYSA-N
XLogP-0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.16
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(propan-2-yl)sulfamoyl]amino]propanethioamide?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide (CID 61454019) is 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide is CC(NS(=O)(=O)N(C)C(C)C)C(N)=S.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
The InChIKey is QIEPXTGYRCRSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-5(2)10(4)14(11,12)9-6(3)7(8)13/h5-6,9H,1-4H3,(H2,8,13).
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide?
2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide is sourced from PubChem (CID 61454019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).