[methyl(sulfino)amino]ethane

C3H9NO2S — CID 20558808

IUPAC[methyl(sulfino)amino]ethane
SMILESCCN(C)S(=O)O
InChIInChI=1S/C3H9NO2S/c1-3-4(2)7(5)6/h3H2,1-2H3,(H,5,6)
InChIKeyNSCAAMKARLEQFN-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.07
Rot. Bonds2

About [methyl(sulfino)amino]ethane

[methyl(sulfino)amino]ethane (PubChem CID 20558808) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is [methyl(sulfino)amino]ethane.

Molecular Properties

Compound Name[methyl(sulfino)amino]ethane
PubChem CID20558808
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Name[methyl(sulfino)amino]ethane
SMILESCCN(C)S(=O)O
InChIInChI=1S/C3H9NO2S/c1-3-4(2)7(5)6/h3H2,1-2H3,(H,5,6)
InChIKeyNSCAAMKARLEQFN-UHFFFAOYSA-N
XLogP0.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [methyl(sulfino)amino]ethane?
The IUPAC name of [methyl(sulfino)amino]ethane (CID 20558808) is [methyl(sulfino)amino]ethane.
What is the SMILES notation for [methyl(sulfino)amino]ethane?
The canonical SMILES for [methyl(sulfino)amino]ethane is CCN(C)S(=O)O.
What is the InChIKey of [methyl(sulfino)amino]ethane?
The InChIKey is NSCAAMKARLEQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3-4(2)7(5)6/h3H2,1-2H3,(H,5,6).
What are the key properties of [methyl(sulfino)amino]ethane?
[methyl(sulfino)amino]ethane has a molecular weight of 123.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfino)amino]ethane is sourced from PubChem (CID 20558808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).