2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide

C11H24N2O2S2 — CID 55259382

IUPAC2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)CCC(C)C)C(N)=S
InChIInChI=1S/C11H24N2O2S2/c1-5-11(6-2,10(12)16)13-17(14,15)8-7-9(3)4/h9,13H,5-8H2,1-4H3,(H2,12,16)
InChIKeySBLKGBRRIJTHGQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.80
Rot. Bonds8

About 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide

2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide (PubChem CID 55259382) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
PubChem CID55259382
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)CCC(C)C)C(N)=S
InChIInChI=1S/C11H24N2O2S2/c1-5-11(6-2,10(12)16)13-17(14,15)8-7-9(3)4/h9,13H,5-8H2,1-4H3,(H2,12,16)
InChIKeySBLKGBRRIJTHGQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.80
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-(3-methylbutylsulfonylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide (CID 55259382) is 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide is CCC(CC)(NS(=O)(=O)CCC(C)C)C(N)=S.
What is the InChIKey of 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide?
The InChIKey is SBLKGBRRIJTHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-5-11(6-2,10(12)16)13-17(14,15)8-7-9(3)4/h9,13H,5-8H2,1-4H3,(H2,12,16).
What are the key properties of 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide?
2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide has a molecular weight of 280.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methylbutylsulfonylamino)butanethioamide is sourced from PubChem (CID 55259382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).