[methylsulfonyl(sulfinato)amino]ethane

C3H8NO4S2- — CID 91586148

IUPAC[methylsulfonyl(sulfinato)amino]ethane
SMILESCCN(S(=O)[O-])S(C)(=O)=O
InChIInChI=1S/C3H9NO4S2/c1-3-4(9(5)6)10(2,7)8/h3H2,1-2H3,(H,5,6)/p-1
InChIKeyIRKDEZPSJBVPLT-UHFFFAOYSA-M
MW186.23 g/mol
LogP-0.94
Rot. Bonds3

About [methylsulfonyl(sulfinato)amino]ethane

[methylsulfonyl(sulfinato)amino]ethane (PubChem CID 91586148) has the molecular formula C3H8NO4S2- and a molecular weight of 186.23 g/mol. Its IUPAC name is [methylsulfonyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name[methylsulfonyl(sulfinato)amino]ethane
PubChem CID91586148
Molecular FormulaC3H8NO4S2-
Molecular Weight186.23 g/mol
Exact Mass185.99
IUPAC Name[methylsulfonyl(sulfinato)amino]ethane
SMILESCCN(S(=O)[O-])S(C)(=O)=O
InChIInChI=1S/C3H9NO4S2/c1-3-4(9(5)6)10(2,7)8/h3H2,1-2H3,(H,5,6)/p-1
InChIKeyIRKDEZPSJBVPLT-UHFFFAOYSA-M
XLogP-0.94
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [methylsulfonyl(sulfinato)amino]ethane?
The IUPAC name of [methylsulfonyl(sulfinato)amino]ethane (CID 91586148) is [methylsulfonyl(sulfinato)amino]ethane.
What is the SMILES notation for [methylsulfonyl(sulfinato)amino]ethane?
The canonical SMILES for [methylsulfonyl(sulfinato)amino]ethane is CCN(S(=O)[O-])S(C)(=O)=O.
What is the InChIKey of [methylsulfonyl(sulfinato)amino]ethane?
The InChIKey is IRKDEZPSJBVPLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO4S2/c1-3-4(9(5)6)10(2,7)8/h3H2,1-2H3,(H,5,6)/p-1.
What are the key properties of [methylsulfonyl(sulfinato)amino]ethane?
[methylsulfonyl(sulfinato)amino]ethane has a molecular weight of 186.23 g/mol, XLogP of -0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methylsulfonyl(sulfinato)amino]ethane is sourced from PubChem (CID 91586148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).