2-methyl-1-[methyl(sulfinato)amino]butane

C6H14NO2S- — CID 57325289

IUPAC2-methyl-1-[methyl(sulfinato)amino]butane
SMILESCCC(C)CN(C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-6(2)5-7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyYXZTYHHKQPTVTD-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.76
Rot. Bonds4

About 2-methyl-1-[methyl(sulfinato)amino]butane

2-methyl-1-[methyl(sulfinato)amino]butane (PubChem CID 57325289) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-1-[methyl(sulfinato)amino]butane.

Molecular Properties

Compound Name2-methyl-1-[methyl(sulfinato)amino]butane
PubChem CID57325289
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2-methyl-1-[methyl(sulfinato)amino]butane
SMILESCCC(C)CN(C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-6(2)5-7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyYXZTYHHKQPTVTD-UHFFFAOYSA-M
XLogP0.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.76
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-1-[methyl(sulfinato)amino]butane?
The IUPAC name of 2-methyl-1-[methyl(sulfinato)amino]butane (CID 57325289) is 2-methyl-1-[methyl(sulfinato)amino]butane.
What is the SMILES notation for 2-methyl-1-[methyl(sulfinato)amino]butane?
The canonical SMILES for 2-methyl-1-[methyl(sulfinato)amino]butane is CCC(C)CN(C)S(=O)[O-].
What is the InChIKey of 2-methyl-1-[methyl(sulfinato)amino]butane?
The InChIKey is YXZTYHHKQPTVTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(2)5-7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 2-methyl-1-[methyl(sulfinato)amino]butane?
2-methyl-1-[methyl(sulfinato)amino]butane has a molecular weight of 164.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(sulfinato)amino]butane is sourced from PubChem (CID 57325289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).