2-(ethylsulfamoylamino)ethanethioamide

C4H11N3O2S2 — CID 114808101

IUPAC2-(ethylsulfamoylamino)ethanethioamide
SMILESCCNS(=O)(=O)NCC(N)=S
InChIInChI=1S/C4H11N3O2S2/c1-2-6-11(8,9)7-3-4(5)10/h6-7H,2-3H2,1H3,(H2,5,10)
InChIKeyWBPZUTJAMZTVBW-UHFFFAOYSA-N
MW197.28 g/mol
LogP-1.28
Rot. Bonds5

About 2-(ethylsulfamoylamino)ethanethioamide

2-(ethylsulfamoylamino)ethanethioamide (PubChem CID 114808101) has the molecular formula C4H11N3O2S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)ethanethioamide
PubChem CID114808101
Molecular FormulaC4H11N3O2S2
Molecular Weight197.28 g/mol
Exact Mass197.03
IUPAC Name2-(ethylsulfamoylamino)ethanethioamide
SMILESCCNS(=O)(=O)NCC(N)=S
InChIInChI=1S/C4H11N3O2S2/c1-2-6-11(8,9)7-3-4(5)10/h6-7H,2-3H2,1H3,(H2,5,10)
InChIKeyWBPZUTJAMZTVBW-UHFFFAOYSA-N
XLogP-1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-1.28
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-(2,2,2-Trifluoroethylsulfamoylamino)ethanethioamide
CID 114808100
1-Amino-1-sulfanylidene-2-(sulfinatoamino)ethane
CID 174385508
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-(Methanesulfonamido)ethanethioamide
CID 61127309
2-(Diethylsulfamoylamino)ethanethioamide
CID 61127693
2-(Dimethylsulfamoylamino)ethanethioamide
CID 61127695
2-(Ethylsulfonylamino)ethanethioamide
CID 61127874
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 61454017
2-[Dimethylsulfamoyl(ethyl)amino]ethanethioamide
CID 61900045
2-[Dimethylsulfamoyl(methyl)amino]ethanethioamide
CID 61902210
3-(Dimethylsulfamoylamino)propanethioamide
CID 62667103
4-(Dimethylsulfamoylamino)butanethioamide
CID 62667925

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(ethylsulfamoylamino)ethanethioamide (CID 114808101) is 2-(ethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(ethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(ethylsulfamoylamino)ethanethioamide is CCNS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(ethylsulfamoylamino)ethanethioamide?
The InChIKey is WBPZUTJAMZTVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S2/c1-2-6-11(8,9)7-3-4(5)10/h6-7H,2-3H2,1H3,(H2,5,10).
What are the key properties of 2-(ethylsulfamoylamino)ethanethioamide?
2-(ethylsulfamoylamino)ethanethioamide has a molecular weight of 197.28 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).