2-(tert-butylsulfonylamino)-2-methylbutanethioamide

C9H20N2O2S2 — CID 63689728

IUPAC2-(tert-butylsulfonylamino)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C9H20N2O2S2/c1-6-9(5,7(10)14)11-15(12,13)8(2,3)4/h11H,6H2,1-5H3,(H2,10,14)
InChIKeySUJPCTDBWGYHIJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.16
Rot. Bonds4

About 2-(tert-butylsulfonylamino)-2-methylbutanethioamide

2-(tert-butylsulfonylamino)-2-methylbutanethioamide (PubChem CID 63689728) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-2-methylbutanethioamide
PubChem CID63689728
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name2-(tert-butylsulfonylamino)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C9H20N2O2S2/c1-6-9(5,7(10)14)11-15(12,13)8(2,3)4/h11H,6H2,1-5H3,(H2,10,14)
InChIKeySUJPCTDBWGYHIJ-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.16
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-methylbutanethioamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-2-methylbutanethioamide (CID 63689728) is 2-(tert-butylsulfonylamino)-2-methylbutanethioamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-2-methylbutanethioamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-2-methylbutanethioamide is CCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=S.
What is the InChIKey of 2-(tert-butylsulfonylamino)-2-methylbutanethioamide?
The InChIKey is SUJPCTDBWGYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-6-9(5,7(10)14)11-15(12,13)8(2,3)4/h11H,6H2,1-5H3,(H2,10,14).
What are the key properties of 2-(tert-butylsulfonylamino)-2-methylbutanethioamide?
2-(tert-butylsulfonylamino)-2-methylbutanethioamide has a molecular weight of 252.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-2-methylbutanethioamide is sourced from PubChem (CID 63689728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).