2-(dimethylsulfamoylamino)ethanethioamide

C4H11N3O2S2 — CID 61127695

IUPAC2-(dimethylsulfamoylamino)ethanethioamide
SMILESCN(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C4H11N3O2S2/c1-7(2)11(8,9)6-3-4(5)10/h6H,3H2,1-2H3,(H2,5,10)
InChIKeyCFKCICWJMFLKPW-UHFFFAOYSA-N
MW197.28 g/mol
LogP-1.33
Rot. Bonds4

About 2-(dimethylsulfamoylamino)ethanethioamide

2-(dimethylsulfamoylamino)ethanethioamide (PubChem CID 61127695) has the molecular formula C4H11N3O2S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)ethanethioamide
PubChem CID61127695
Molecular FormulaC4H11N3O2S2
Molecular Weight197.28 g/mol
Exact Mass197.03
IUPAC Name2-(dimethylsulfamoylamino)ethanethioamide
SMILESCN(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C4H11N3O2S2/c1-7(2)11(8,9)6-3-4(5)10/h6H,3H2,1-2H3,(H2,5,10)
InChIKeyCFKCICWJMFLKPW-UHFFFAOYSA-N
XLogP-1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane
CID 64996112
2-(propan-2-ylsulfamoylamino)ethanethioamide
CID 114808104
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
1-aminooxy-2-(dimethylsulfamoylamino)ethane
CID 39237574
1-(dimethylsulfamoylamino)-2-oxoethane
CID 21087159
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
N-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887
2-[ethylsulfamoyl(propyl)amino]ethanethioamide
CID 114808251
2-(benzylsulfonylamino)ethanethioamide
CID 61127504
1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine
CID 112991732
1-aminooxy-3-(dimethylsulfamoylamino)propane
CID 39239879
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
CID 79159558

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(dimethylsulfamoylamino)ethanethioamide (CID 61127695) is 2-(dimethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)ethanethioamide is CN(C)S(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(dimethylsulfamoylamino)ethanethioamide?
The InChIKey is CFKCICWJMFLKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S2/c1-7(2)11(8,9)6-3-4(5)10/h6H,3H2,1-2H3,(H2,5,10).
What are the key properties of 2-(dimethylsulfamoylamino)ethanethioamide?
2-(dimethylsulfamoylamino)ethanethioamide has a molecular weight of 197.28 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 61127695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).