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

C5H13N2O2S- — CID 57308387

IUPAC1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane
SMILESCN(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C5H14N2O2S/c1-6(2)4-5-7(3)10(8)9/h4-5H2,1-3H3,(H,8,9)/p-1
InChIKeySWJXBQBGGNDYIE-UHFFFAOYSA-M
MW165.24 g/mol
LogP-0.73
Rot. Bonds4

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

1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane (PubChem CID 57308387) has the molecular formula C5H13N2O2S- and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane
PubChem CID57308387
Molecular FormulaC5H13N2O2S-
Molecular Weight165.24 g/mol
Exact Mass165.07
IUPAC Name1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane
SMILESCN(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C5H14N2O2S/c1-6(2)4-5-7(3)10(8)9/h4-5H2,1-3H3,(H,8,9)/p-1
InChIKeySWJXBQBGGNDYIE-UHFFFAOYSA-M
XLogP-0.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.73
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-(dimethylamino)-2-[methyl(sulfinato)amino]ethane?
The IUPAC name of 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane (CID 57308387) is 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane?
The canonical SMILES for 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane is CN(C)CCN(C)S(=O)[O-].
What is the InChIKey of 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane?
The InChIKey is SWJXBQBGGNDYIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N2O2S/c1-6(2)4-5-7(3)10(8)9/h4-5H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane?
1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane has a molecular weight of 165.24 g/mol, XLogP of -0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-[methyl(sulfinato)amino]ethane is sourced from PubChem (CID 57308387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).