2-(propan-2-ylsulfamoylamino)ethanethioamide

C5H13N3O2S2 — CID 114808104

IUPAC2-(propan-2-ylsulfamoylamino)ethanethioamide
SMILESCC(C)NS(=O)(=O)NCC(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-4(2)8-12(9,10)7-3-5(6)11/h4,7-8H,3H2,1-2H3,(H2,6,11)
InChIKeyRGJWFNHVGOSHHB-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.90
Rot. Bonds5

About 2-(propan-2-ylsulfamoylamino)ethanethioamide

2-(propan-2-ylsulfamoylamino)ethanethioamide (PubChem CID 114808104) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoylamino)ethanethioamide
PubChem CID114808104
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name2-(propan-2-ylsulfamoylamino)ethanethioamide
SMILESCC(C)NS(=O)(=O)NCC(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-4(2)8-12(9,10)7-3-5(6)11/h4,7-8H,3H2,1-2H3,(H2,6,11)
InChIKeyRGJWFNHVGOSHHB-UHFFFAOYSA-N
XLogP-0.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 114813244
2-(ethylsulfamoylamino)propanethioamide
CID 114808115
2-(dimethylsulfamoylamino)ethanethioamide
CID 61127695
3-(methylsulfamoylamino)butanethioamide
CID 114808266
2,2-dimethyl-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 57355566
N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
CID 114804063
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine
CID 114812975
1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352856
2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol
CID 103946879
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 114806915

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(propan-2-ylsulfamoylamino)ethanethioamide (CID 114808104) is 2-(propan-2-ylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(propan-2-ylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(propan-2-ylsulfamoylamino)ethanethioamide is CC(C)NS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(propan-2-ylsulfamoylamino)ethanethioamide?
The InChIKey is RGJWFNHVGOSHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-4(2)8-12(9,10)7-3-5(6)11/h4,7-8H,3H2,1-2H3,(H2,6,11).
What are the key properties of 2-(propan-2-ylsulfamoylamino)ethanethioamide?
2-(propan-2-ylsulfamoylamino)ethanethioamide has a molecular weight of 211.31 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).