1-[ethyl(sulfinato)amino]-2-methylpropane

C6H14NO2S- — CID 57277897

IUPAC1-[ethyl(sulfinato)amino]-2-methylpropane
SMILESCCN(CC(C)C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-7(10(8)9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyYJAXSHDWCVWCPS-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.76
Rot. Bonds4

About 1-[ethyl(sulfinato)amino]-2-methylpropane

1-[ethyl(sulfinato)amino]-2-methylpropane (PubChem CID 57277897) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[ethyl(sulfinato)amino]-2-methylpropane.

Molecular Properties

Compound Name1-[ethyl(sulfinato)amino]-2-methylpropane
PubChem CID57277897
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name1-[ethyl(sulfinato)amino]-2-methylpropane
SMILESCCN(CC(C)C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-7(10(8)9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyYJAXSHDWCVWCPS-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 1-[ethyl(sulfinato)amino]-2-methylpropane?
The IUPAC name of 1-[ethyl(sulfinato)amino]-2-methylpropane (CID 57277897) is 1-[ethyl(sulfinato)amino]-2-methylpropane.
What is the SMILES notation for 1-[ethyl(sulfinato)amino]-2-methylpropane?
The canonical SMILES for 1-[ethyl(sulfinato)amino]-2-methylpropane is CCN(CC(C)C)S(=O)[O-].
What is the InChIKey of 1-[ethyl(sulfinato)amino]-2-methylpropane?
The InChIKey is YJAXSHDWCVWCPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-4-7(10(8)9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 1-[ethyl(sulfinato)amino]-2-methylpropane?
1-[ethyl(sulfinato)amino]-2-methylpropane 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 1-[ethyl(sulfinato)amino]-2-methylpropane is sourced from PubChem (CID 57277897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).