2-(dimethylsulfamoylamino)-2-ethylbutanethioamide

C8H19N3O2S2 — CID 61122098

IUPAC2-(dimethylsulfamoylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-5-8(6-2,7(9)14)10-15(12,13)11(3)4/h10H,5-6H2,1-4H3,(H2,9,14)
InChIKeyNPEWLLMGRLWMHY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.23
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide

2-(dimethylsulfamoylamino)-2-ethylbutanethioamide (PubChem CID 61122098) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-2-ethylbutanethioamide
PubChem CID61122098
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-(dimethylsulfamoylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-5-8(6-2,7(9)14)10-15(12,13)11(3)4/h10H,5-6H2,1-4H3,(H2,9,14)
InChIKeyNPEWLLMGRLWMHY-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.23
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-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
1-(Dimethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122869
2-(Dimethylsulfamoylamino)-2-methylbutanethioamide
CID 61123094
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
1-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61124459
2-Ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
CID 61124486
2-Ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61124685

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide (CID 61122098) is 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide is CCC(CC)(NS(=O)(=O)N(C)C)C(N)=S.
What is the InChIKey of 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide?
The InChIKey is NPEWLLMGRLWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-5-8(6-2,7(9)14)10-15(12,13)11(3)4/h10H,5-6H2,1-4H3,(H2,9,14).
What are the key properties of 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide?
2-(dimethylsulfamoylamino)-2-ethylbutanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 61122098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).