2-(methylsulfamoylamino)propanethioamide

C4H11N3O2S2 — CID 114808116

IUPAC2-(methylsulfamoylamino)propanethioamide
SMILESCNS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C4H11N3O2S2/c1-3(4(5)10)7-11(8,9)6-2/h3,6-7H,1-2H3,(H2,5,10)
InChIKeyFBEYXDLTKXGUPJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP-1.29
Rot. Bonds4

About 2-(methylsulfamoylamino)propanethioamide

2-(methylsulfamoylamino)propanethioamide (PubChem CID 114808116) has the molecular formula C4H11N3O2S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-(methylsulfamoylamino)propanethioamide
PubChem CID114808116
Molecular FormulaC4H11N3O2S2
Molecular Weight197.28 g/mol
Exact Mass197.03
IUPAC Name2-(methylsulfamoylamino)propanethioamide
SMILESCNS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C4H11N3O2S2/c1-3(4(5)10)7-11(8,9)6-2/h3,6-7H,1-2H3,(H2,5,10)
InChIKeyFBEYXDLTKXGUPJ-UHFFFAOYSA-N
XLogP-1.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
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-(methylsulfamoylamino)propanethioamide?
The IUPAC name of 2-(methylsulfamoylamino)propanethioamide (CID 114808116) is 2-(methylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-(methylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-(methylsulfamoylamino)propanethioamide is CNS(=O)(=O)NC(C)C(N)=S.
What is the InChIKey of 2-(methylsulfamoylamino)propanethioamide?
The InChIKey is FBEYXDLTKXGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S2/c1-3(4(5)10)7-11(8,9)6-2/h3,6-7H,1-2H3,(H2,5,10).
What are the key properties of 2-(methylsulfamoylamino)propanethioamide?
2-(methylsulfamoylamino)propanethioamide has a molecular weight of 197.28 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).