2-(tert-butylsulfonylamino)butanethioamide

C8H18N2O2S2 — CID 63689353

IUPAC2-(tert-butylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-5-6(7(9)13)10-14(11,12)8(2,3)4/h6,10H,5H2,1-4H3,(H2,9,13)
InChIKeyFNBVDESJMNJXKW-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.77
Rot. Bonds4

About 2-(tert-butylsulfonylamino)butanethioamide

2-(tert-butylsulfonylamino)butanethioamide (PubChem CID 63689353) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)butanethioamide
PubChem CID63689353
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC Name2-(tert-butylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-5-6(7(9)13)10-14(11,12)8(2,3)4/h6,10H,5H2,1-4H3,(H2,9,13)
InChIKeyFNBVDESJMNJXKW-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.77
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-(tert-butylsulfonylamino)butanethioamide?
The IUPAC name of 2-(tert-butylsulfonylamino)butanethioamide (CID 63689353) is 2-(tert-butylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)C(C)(C)C)C(N)=S.
What is the InChIKey of 2-(tert-butylsulfonylamino)butanethioamide?
The InChIKey is FNBVDESJMNJXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-5-6(7(9)13)10-14(11,12)8(2,3)4/h6,10H,5H2,1-4H3,(H2,9,13).
What are the key properties of 2-(tert-butylsulfonylamino)butanethioamide?
2-(tert-butylsulfonylamino)butanethioamide has a molecular weight of 238.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)butanethioamide is sourced from PubChem (CID 63689353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).