[[fluorosulfonyl(sulfinato)amino]-methylamino]ethane

C3H8FN2O4S2- — CID 121407095

IUPAC[[fluorosulfonyl(sulfinato)amino]-methylamino]ethane
SMILESCCN(C)N(S(=O)[O-])S(=O)(=O)F
InChIInChI=1S/C3H9FN2O4S2/c1-3-5(2)6(11(7)8)12(4,9)10/h3H2,1-2H3,(H,7,8)/p-1
InChIKeySQAJDYQTXOSYDG-UHFFFAOYSA-M
MW219.24 g/mol
LogP-0.84
Rot. Bonds4

About [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane

[[fluorosulfonyl(sulfinato)amino]-methylamino]ethane (PubChem CID 121407095) has the molecular formula C3H8FN2O4S2- and a molecular weight of 219.24 g/mol. Its IUPAC name is [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane.

Molecular Properties

Compound Name[[fluorosulfonyl(sulfinato)amino]-methylamino]ethane
PubChem CID121407095
Molecular FormulaC3H8FN2O4S2-
Molecular Weight219.24 g/mol
Exact Mass218.99
IUPAC Name[[fluorosulfonyl(sulfinato)amino]-methylamino]ethane
SMILESCCN(C)N(S(=O)[O-])S(=O)(=O)F
InChIInChI=1S/C3H9FN2O4S2/c1-3-5(2)6(11(7)8)12(4,9)10/h3H2,1-2H3,(H,7,8)/p-1
InChIKeySQAJDYQTXOSYDG-UHFFFAOYSA-M
XLogP-0.84
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

[methyl(sulfinato)amino]methane
CID 6415703
1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane
CID 163809911
triethyl(fluoro)-λ4-sulfane
CID 141479228
propane sulfite
CID 21270602
1-ethylsulfonylethane;sulfur trioxide
CID 159641357
2-[ethyl(sulfinato)amino]-2-methylbutane
CID 57321721
1-[fluoro(sulfinato)amino]butane
CID 174765276
N,N-diethylethanamine;N-fluorosulfonylsulfamoyl fluoride
CID 118659682
[ethyl-(sulfinatoamino)amino]ethane
CID 57171552
3-[pentan-3-yl(sulfinato)amino]pentane
CID 90702222
1-[methyl(sulfinato)amino]-1-oxobutane
CID 91447373
lithium;hydride;methanesulfonyl fluoride
CID 175576597

Frequently Asked Questions

What is the IUPAC name of [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane?
The IUPAC name of [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane (CID 121407095) is [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane.
What is the SMILES notation for [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane?
The canonical SMILES for [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane is CCN(C)N(S(=O)[O-])S(=O)(=O)F.
What is the InChIKey of [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane?
The InChIKey is SQAJDYQTXOSYDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9FN2O4S2/c1-3-5(2)6(11(7)8)12(4,9)10/h3H2,1-2H3,(H,7,8)/p-1.
What are the key properties of [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane?
[[fluorosulfonyl(sulfinato)amino]-methylamino]ethane has a molecular weight of 219.24 g/mol, XLogP of -0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[fluorosulfonyl(sulfinato)amino]-methylamino]ethane is sourced from PubChem (CID 121407095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).