1-(methanesulfonamido)-2-(sulfinatoamino)ethane

C3H9N2O4S2- — CID 89129445

IUPAC1-(methanesulfonamido)-2-(sulfinatoamino)ethane
SMILESCS(=O)(=O)NCCNS(=O)[O-]
InChIInChI=1S/C3H10N2O4S2/c1-11(8,9)5-3-2-4-10(6)7/h4-5H,2-3H2,1H3,(H,6,7)/p-1
InChIKeyBHZJDTVZHBYXKV-UHFFFAOYSA-M
MW201.25 g/mol
LogP-2.08
Rot. Bonds5

About 1-(methanesulfonamido)-2-(sulfinatoamino)ethane

1-(methanesulfonamido)-2-(sulfinatoamino)ethane (PubChem CID 89129445) has the molecular formula C3H9N2O4S2- and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(methanesulfonamido)-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-(methanesulfonamido)-2-(sulfinatoamino)ethane
PubChem CID89129445
Molecular FormulaC3H9N2O4S2-
Molecular Weight201.25 g/mol
Exact Mass201.00
IUPAC Name1-(methanesulfonamido)-2-(sulfinatoamino)ethane
SMILESCS(=O)(=O)NCCNS(=O)[O-]
InChIInChI=1S/C3H10N2O4S2/c1-11(8,9)5-3-2-4-10(6)7/h4-5H,2-3H2,1H3,(H,6,7)/p-1
InChIKeyBHZJDTVZHBYXKV-UHFFFAOYSA-M
XLogP-2.08
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methanesulfonamido)-2-(sulfinatoamino)ethane?
The IUPAC name of 1-(methanesulfonamido)-2-(sulfinatoamino)ethane (CID 89129445) is 1-(methanesulfonamido)-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-(methanesulfonamido)-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-(methanesulfonamido)-2-(sulfinatoamino)ethane is CS(=O)(=O)NCCNS(=O)[O-].
What is the InChIKey of 1-(methanesulfonamido)-2-(sulfinatoamino)ethane?
The InChIKey is BHZJDTVZHBYXKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10N2O4S2/c1-11(8,9)5-3-2-4-10(6)7/h4-5H,2-3H2,1H3,(H,6,7)/p-1.
What are the key properties of 1-(methanesulfonamido)-2-(sulfinatoamino)ethane?
1-(methanesulfonamido)-2-(sulfinatoamino)ethane has a molecular weight of 201.25 g/mol, XLogP of -2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methanesulfonamido)-2-(sulfinatoamino)ethane is sourced from PubChem (CID 89129445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).