2-[methyl(sulfino)amino]butane

C5H13NO2S — CID 21324249

IUPAC2-[methyl(sulfino)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)
InChIKeyHOJJFYODFYBWLR-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.85
Rot. Bonds3

About 2-[methyl(sulfino)amino]butane

2-[methyl(sulfino)amino]butane (PubChem CID 21324249) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-[methyl(sulfino)amino]butane.

Molecular Properties

Compound Name2-[methyl(sulfino)amino]butane
PubChem CID21324249
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-[methyl(sulfino)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)
InChIKeyHOJJFYODFYBWLR-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[methyl(sulfino)amino]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(sulfino)amino]butane?
The IUPAC name of 2-[methyl(sulfino)amino]butane (CID 21324249) is 2-[methyl(sulfino)amino]butane.
What is the SMILES notation for 2-[methyl(sulfino)amino]butane?
The canonical SMILES for 2-[methyl(sulfino)amino]butane is CCC(C)N(C)S(=O)O.
What is the InChIKey of 2-[methyl(sulfino)amino]butane?
The InChIKey is HOJJFYODFYBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-4-5(2)6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-[methyl(sulfino)amino]butane?
2-[methyl(sulfino)amino]butane has a molecular weight of 151.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(sulfino)amino]butane is sourced from PubChem (CID 21324249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).