2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide

C10H23N3O2S2 — CID 54947202

IUPAC2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
SMILESCCC(CC)(NS(=O)(=O)N(C)C(C)C)C(N)=S
InChIInChI=1S/C10H23N3O2S2/c1-6-10(7-2,9(11)16)12-17(14,15)13(5)8(3)4/h8,12H,6-7H2,1-5H3,(H2,11,16)
InChIKeyQLZVJAUHIOVYBT-UHFFFAOYSA-N
MW281.45 g/mol
LogP1.01
Rot. Bonds7

About 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide

2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide (PubChem CID 54947202) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
PubChem CID54947202
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
SMILESCCC(CC)(NS(=O)(=O)N(C)C(C)C)C(N)=S
InChIInChI=1S/C10H23N3O2S2/c1-6-10(7-2,9(11)16)12-17(14,15)13(5)8(3)4/h8,12H,6-7H2,1-5H3,(H2,11,16)
InChIKeyQLZVJAUHIOVYBT-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide?
The IUPAC name of 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide (CID 54947202) is 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide.
What is the SMILES notation for 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide?
The canonical SMILES for 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide is CCC(CC)(NS(=O)(=O)N(C)C(C)C)C(N)=S.
What is the InChIKey of 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide?
The InChIKey is QLZVJAUHIOVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-6-10(7-2,9(11)16)12-17(14,15)13(5)8(3)4/h8,12H,6-7H2,1-5H3,(H2,11,16).
What are the key properties of 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide?
2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide has a molecular weight of 281.45 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide is sourced from PubChem (CID 54947202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).