[[methyl(sulfino)amino]-sulfinoamino]methane

C2H8N2O4S2 — CID 23174157

IUPAC[[methyl(sulfino)amino]-sulfinoamino]methane
SMILESCN(N(C)S(=O)O)S(=O)O
InChIInChI=1S/C2H8N2O4S2/c1-3(9(5)6)4(2)10(7)8/h1-2H3,(H,5,6)(H,7,8)
InChIKeyIVNIRCYHCZJHGS-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.96
Rot. Bonds3

About [[methyl(sulfino)amino]-sulfinoamino]methane

[[methyl(sulfino)amino]-sulfinoamino]methane (PubChem CID 23174157) has the molecular formula C2H8N2O4S2 and a molecular weight of 188.23 g/mol. Its IUPAC name is [[methyl(sulfino)amino]-sulfinoamino]methane.

Molecular Properties

Compound Name[[methyl(sulfino)amino]-sulfinoamino]methane
PubChem CID23174157
Molecular FormulaC2H8N2O4S2
Molecular Weight188.23 g/mol
Exact Mass187.99
IUPAC Name[[methyl(sulfino)amino]-sulfinoamino]methane
SMILESCN(N(C)S(=O)O)S(=O)O
InChIInChI=1S/C2H8N2O4S2/c1-3(9(5)6)4(2)10(7)8/h1-2H3,(H,5,6)(H,7,8)
InChIKeyIVNIRCYHCZJHGS-UHFFFAOYSA-N
XLogP-0.96
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[methyl(sulfino)amino]-sulfinoamino]methane?
The IUPAC name of [[methyl(sulfino)amino]-sulfinoamino]methane (CID 23174157) is [[methyl(sulfino)amino]-sulfinoamino]methane.
What is the SMILES notation for [[methyl(sulfino)amino]-sulfinoamino]methane?
The canonical SMILES for [[methyl(sulfino)amino]-sulfinoamino]methane is CN(N(C)S(=O)O)S(=O)O.
What is the InChIKey of [[methyl(sulfino)amino]-sulfinoamino]methane?
The InChIKey is IVNIRCYHCZJHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O4S2/c1-3(9(5)6)4(2)10(7)8/h1-2H3,(H,5,6)(H,7,8).
What are the key properties of [[methyl(sulfino)amino]-sulfinoamino]methane?
[[methyl(sulfino)amino]-sulfinoamino]methane has a molecular weight of 188.23 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[methyl(sulfino)amino]-sulfinoamino]methane is sourced from PubChem (CID 23174157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).