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

C6H15N2O2S- — CID 163809911

IUPAC1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane
SMILESCCN(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C6H16N2O2S/c1-4-7(2)5-6-8(3)11(9)10/h4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyOIPAENRQVNDJJY-UHFFFAOYSA-M
MW179.26 g/mol
LogP-0.34
Rot. Bonds5

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

1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane (PubChem CID 163809911) has the molecular formula C6H15N2O2S- and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane
PubChem CID163809911
Molecular FormulaC6H15N2O2S-
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Name1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane
SMILESCCN(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C6H16N2O2S/c1-4-7(2)5-6-8(3)11(9)10/h4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyOIPAENRQVNDJJY-UHFFFAOYSA-M
XLogP-0.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 5-0.34
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-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane?
The IUPAC name of 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane (CID 163809911) is 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane?
The canonical SMILES for 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane is CCN(C)CCN(C)S(=O)[O-].
What is the InChIKey of 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane?
The InChIKey is OIPAENRQVNDJJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N2O2S/c1-4-7(2)5-6-8(3)11(9)10/h4-6H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane?
1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane has a molecular weight of 179.26 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane is sourced from PubChem (CID 163809911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).