1-(diethylamino)-2-[methyl(sulfinato)amino]ethane

C7H17N2O2S- — CID 91806625

IUPAC1-(diethylamino)-2-[methyl(sulfinato)amino]ethane
SMILESCCN(CC)CCN(C)S(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-4-9(5-2)7-6-8(3)12(10)11/h4-7H2,1-3H3,(H,10,11)/p-1
InChIKeySBOCGWBXZYQIMS-UHFFFAOYSA-M
MW193.29 g/mol
LogP0.05
Rot. Bonds6

About 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane

1-(diethylamino)-2-[methyl(sulfinato)amino]ethane (PubChem CID 91806625) has the molecular formula C7H17N2O2S- and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-(diethylamino)-2-[methyl(sulfinato)amino]ethane
PubChem CID91806625
Molecular FormulaC7H17N2O2S-
Molecular Weight193.29 g/mol
Exact Mass193.10
IUPAC Name1-(diethylamino)-2-[methyl(sulfinato)amino]ethane
SMILESCCN(CC)CCN(C)S(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-4-9(5-2)7-6-8(3)12(10)11/h4-7H2,1-3H3,(H,10,11)/p-1
InChIKeySBOCGWBXZYQIMS-UHFFFAOYSA-M
XLogP0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(diethylamino)-2-[methyl(sulfinato)amino]ethane?
The IUPAC name of 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane (CID 91806625) is 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane?
The canonical SMILES for 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane is CCN(CC)CCN(C)S(=O)[O-].
What is the InChIKey of 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane?
The InChIKey is SBOCGWBXZYQIMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N2O2S/c1-4-9(5-2)7-6-8(3)12(10)11/h4-7H2,1-3H3,(H,10,11)/p-1.
What are the key properties of 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane?
1-(diethylamino)-2-[methyl(sulfinato)amino]ethane has a molecular weight of 193.29 g/mol, XLogP of 0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-2-[methyl(sulfinato)amino]ethane is sourced from PubChem (CID 91806625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).