2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide

C9H21N3O2S2 — CID 114808173

IUPAC2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)NC(C)C)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-9(6-2,8(10)15)12-16(13,14)11-7(3)4/h7,11-12H,5-6H2,1-4H3,(H2,10,15)
InChIKeyBILFFDAJQZOBCY-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.66
Rot. Bonds7

About 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide

2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide (PubChem CID 114808173) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide
PubChem CID114808173
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)NC(C)C)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-9(6-2,8(10)15)12-16(13,14)11-7(3)4/h7,11-12H,5-6H2,1-4H3,(H2,10,15)
InChIKeyBILFFDAJQZOBCY-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.66
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-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
3-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 64421120
1-(Propan-2-ylsulfamoylamino)cyclohexane-1-carbothioamide
CID 113637071
2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine
CID 114803670
2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
CID 114803671
2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114803673
2-Methyl-2-(propylsulfamoylamino)propanethioamide
CID 114808110
2-Methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
CID 114808111

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide (CID 114808173) is 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide is CCC(CC)(NS(=O)(=O)NC(C)C)C(N)=S.
What is the InChIKey of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide?
The InChIKey is BILFFDAJQZOBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-5-9(6-2,8(10)15)12-16(13,14)11-7(3)4/h7,11-12H,5-6H2,1-4H3,(H2,10,15).
What are the key properties of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide?
2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide has a molecular weight of 267.42 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).