2-(diethylsulfamoylamino)butanethioamide

C8H19N3O2S2 — CID 61124244

IUPAC2-(diethylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N(CC)CC)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-7(8(9)14)10-15(12,13)11(5-2)6-3/h7,10H,4-6H2,1-3H3,(H2,9,14)
InChIKeyYEOCQIFWOMKBSB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.23
Rot. Bonds7

About 2-(diethylsulfamoylamino)butanethioamide

2-(diethylsulfamoylamino)butanethioamide (PubChem CID 61124244) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)butanethioamide
PubChem CID61124244
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-(diethylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N(CC)CC)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-7(8(9)14)10-15(12,13)11(5-2)6-3/h7,10H,4-6H2,1-3H3,(H2,9,14)
InChIKeyYEOCQIFWOMKBSB-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

3-[Diethylsulfamoyl(propan-2-yl)amino]propanethioamide
CID 54997999
3-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanethioamide
CID 54998289
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Piperidin-1-ylsulfonylamino)pentanethioamide
CID 61122653
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
1-Amino-2-(diethylsulfamoylamino)butane
CID 61122986
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Pyrrolidin-1-ylsulfonylamino)pentanethioamide
CID 61123062
2-(Piperidin-1-ylsulfonylamino)propanethioamide
CID 61123237
2-(Pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61123440
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)butanethioamide?
The IUPAC name of 2-(diethylsulfamoylamino)butanethioamide (CID 61124244) is 2-(diethylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)butanethioamide is CCC(NS(=O)(=O)N(CC)CC)C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)butanethioamide?
The InChIKey is YEOCQIFWOMKBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-4-7(8(9)14)10-15(12,13)11(5-2)6-3/h7,10H,4-6H2,1-3H3,(H2,9,14).
What are the key properties of 2-(diethylsulfamoylamino)butanethioamide?
2-(diethylsulfamoylamino)butanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)butanethioamide is sourced from PubChem (CID 61124244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).