2-[methyl(sulfinato)amino]butane

C5H12NO2S- — CID 21324248

IUPAC2-[methyl(sulfinato)amino]butane
SMILESCCC(C)N(C)S(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-4-5(2)6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyHOJJFYODFYBWLR-UHFFFAOYSA-M
MW150.22 g/mol
LogP0.51
Rot. Bonds3

About 2-[methyl(sulfinato)amino]butane

2-[methyl(sulfinato)amino]butane (PubChem CID 21324248) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[methyl(sulfinato)amino]butane.

Molecular Properties

Compound Name2-[methyl(sulfinato)amino]butane
PubChem CID21324248
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name2-[methyl(sulfinato)amino]butane
SMILESCCC(C)N(C)S(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-4-5(2)6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyHOJJFYODFYBWLR-UHFFFAOYSA-M
XLogP0.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(sulfinato)amino]butane?
The IUPAC name of 2-[methyl(sulfinato)amino]butane (CID 21324248) is 2-[methyl(sulfinato)amino]butane.
What is the SMILES notation for 2-[methyl(sulfinato)amino]butane?
The canonical SMILES for 2-[methyl(sulfinato)amino]butane is CCC(C)N(C)S(=O)[O-].
What is the InChIKey of 2-[methyl(sulfinato)amino]butane?
The InChIKey is HOJJFYODFYBWLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S/c1-4-5(2)6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1.
What are the key properties of 2-[methyl(sulfinato)amino]butane?
2-[methyl(sulfinato)amino]butane has a molecular weight of 150.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(sulfinato)amino]butane is sourced from PubChem (CID 21324248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).