3-(dimethylsulfamoylamino)propanethioamide

C5H13N3O2S2 — CID 62667103

IUPAC3-(dimethylsulfamoylamino)propanethioamide
SMILESCN(C)S(=O)(=O)NCCC(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-8(2)12(9,10)7-4-3-5(6)11/h7H,3-4H2,1-2H3,(H2,6,11)
InChIKeyOQUUGOQHCWOKCG-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.94
Rot. Bonds5

About 3-(dimethylsulfamoylamino)propanethioamide

3-(dimethylsulfamoylamino)propanethioamide (PubChem CID 62667103) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)propanethioamide
PubChem CID62667103
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name3-(dimethylsulfamoylamino)propanethioamide
SMILESCN(C)S(=O)(=O)NCCC(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-8(2)12(9,10)7-4-3-5(6)11/h7H,3-4H2,1-2H3,(H2,6,11)
InChIKeyOQUUGOQHCWOKCG-UHFFFAOYSA-N
XLogP-0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.94
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 3-(dimethylsulfamoylamino)propanethioamide?
The IUPAC name of 3-(dimethylsulfamoylamino)propanethioamide (CID 62667103) is 3-(dimethylsulfamoylamino)propanethioamide.
What is the SMILES notation for 3-(dimethylsulfamoylamino)propanethioamide?
The canonical SMILES for 3-(dimethylsulfamoylamino)propanethioamide is CN(C)S(=O)(=O)NCCC(N)=S.
What is the InChIKey of 3-(dimethylsulfamoylamino)propanethioamide?
The InChIKey is OQUUGOQHCWOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-8(2)12(9,10)7-4-3-5(6)11/h7H,3-4H2,1-2H3,(H2,6,11).
What are the key properties of 3-(dimethylsulfamoylamino)propanethioamide?
3-(dimethylsulfamoylamino)propanethioamide has a molecular weight of 211.31 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)propanethioamide is sourced from PubChem (CID 62667103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).