2-(tert-butylsulfonylamino)-2-ethylbutanethioamide

C10H22N2O2S2 — CID 63689729

IUPAC2-(tert-butylsulfonylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C10H22N2O2S2/c1-6-10(7-2,8(11)15)12-16(13,14)9(3,4)5/h12H,6-7H2,1-5H3,(H2,11,15)
InChIKeyZVDFMNSLXXQZMR-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.55
Rot. Bonds5

About 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide

2-(tert-butylsulfonylamino)-2-ethylbutanethioamide (PubChem CID 63689729) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-2-ethylbutanethioamide
PubChem CID63689729
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name2-(tert-butylsulfonylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C10H22N2O2S2/c1-6-10(7-2,8(11)15)12-16(13,14)9(3,4)5/h12H,6-7H2,1-5H3,(H2,11,15)
InChIKeyZVDFMNSLXXQZMR-UHFFFAOYSA-N
XLogP1.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.55
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)-2-ethylbutanethioamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide (CID 63689729) is 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide is CCC(CC)(NS(=O)(=O)C(C)(C)C)C(N)=S.
What is the InChIKey of 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide?
The InChIKey is ZVDFMNSLXXQZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-6-10(7-2,8(11)15)12-16(13,14)9(3,4)5/h12H,6-7H2,1-5H3,(H2,11,15).
What are the key properties of 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide?
2-(tert-butylsulfonylamino)-2-ethylbutanethioamide has a molecular weight of 266.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 63689729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).