2-methyl-2-(sulfinoamino)butane

C5H13NO2S — CID 57282467

IUPAC2-methyl-2-(sulfinoamino)butane
SMILESCCC(C)(C)NS(=O)O
InChIInChI=1S/C5H13NO2S/c1-4-5(2,3)6-9(7)8/h6H,4H2,1-3H3,(H,7,8)
InChIKeyUBYCDFAJYHJGNT-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.90
Rot. Bonds3

About 2-methyl-2-(sulfinoamino)butane

2-methyl-2-(sulfinoamino)butane (PubChem CID 57282467) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methyl-2-(sulfinoamino)butane.

Molecular Properties

Compound Name2-methyl-2-(sulfinoamino)butane
PubChem CID57282467
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-methyl-2-(sulfinoamino)butane
SMILESCCC(C)(C)NS(=O)O
InChIInChI=1S/C5H13NO2S/c1-4-5(2,3)6-9(7)8/h6H,4H2,1-3H3,(H,7,8)
InChIKeyUBYCDFAJYHJGNT-UHFFFAOYSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

n-t-Butylsulfonamide
CID 22273184
t-Butylammonium hydrogen sulfate
CID 24996679
2-Methylpropan-2-amine;sulfuric acid
CID 10964978
Sulfamic acid, (1,1-dimethylethyl)-
CID 9815239
2-Methyl-2-(sulfinoamino)propane
CID 17939962
2-Methylbutan-2-ylsulfamic acid
CID 20323420
N-tert-butylsulfamate
CID 20446106
2-methylpropan-2-amine;sulfurothioic O-acid
CID 20510319
N-(2-methylbutan-2-yl)sulfamoyl chloride
CID 20641442
2,3-Dimethyl-2-(sulfinatoamino)butane
CID 57043571
3-Methyl-3-(sulfinatoamino)pentane
CID 57106521
2-Methyl-2-(sulfinatoamino)butane
CID 57282466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(sulfinoamino)butane?
The IUPAC name of 2-methyl-2-(sulfinoamino)butane (CID 57282467) is 2-methyl-2-(sulfinoamino)butane.
What is the SMILES notation for 2-methyl-2-(sulfinoamino)butane?
The canonical SMILES for 2-methyl-2-(sulfinoamino)butane is CCC(C)(C)NS(=O)O.
What is the InChIKey of 2-methyl-2-(sulfinoamino)butane?
The InChIKey is UBYCDFAJYHJGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-4-5(2,3)6-9(7)8/h6H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-methyl-2-(sulfinoamino)butane?
2-methyl-2-(sulfinoamino)butane has a molecular weight of 151.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(sulfinoamino)butane is sourced from PubChem (CID 57282467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).