ethane;(sulfinatoamino)methylcyclopropane

C6H14NO2S- — CID 153377057

IUPACethane;(sulfinatoamino)methylcyclopropane
SMILESCC.O=S([O-])NCC1CC1
InChIInChI=1S/C4H9NO2S.C2H6/c6-8(7)5-3-4-1-2-4;1-2/h4-5H,1-3H2,(H,6,7);1-2H3/p-1
InChIKeyUWQWNOANCBWKQY-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.81
Rot. Bonds3

About ethane;(sulfinatoamino)methylcyclopropane

ethane;(sulfinatoamino)methylcyclopropane (PubChem CID 153377057) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;(sulfinatoamino)methylcyclopropane.

Molecular Properties

Compound Nameethane;(sulfinatoamino)methylcyclopropane
PubChem CID153377057
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Nameethane;(sulfinatoamino)methylcyclopropane
SMILESCC.O=S([O-])NCC1CC1
InChIInChI=1S/C4H9NO2S.C2H6/c6-8(7)5-3-4-1-2-4;1-2/h4-5H,1-3H2,(H,6,7);1-2H3/p-1
InChIKeyUWQWNOANCBWKQY-UHFFFAOYSA-M
XLogP0.81
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethane;(sulfinatoamino)methylcyclopropane?
The IUPAC name of ethane;(sulfinatoamino)methylcyclopropane (CID 153377057) is ethane;(sulfinatoamino)methylcyclopropane.
What is the SMILES notation for ethane;(sulfinatoamino)methylcyclopropane?
The canonical SMILES for ethane;(sulfinatoamino)methylcyclopropane is CC.O=S([O-])NCC1CC1.
What is the InChIKey of ethane;(sulfinatoamino)methylcyclopropane?
The InChIKey is UWQWNOANCBWKQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2S.C2H6/c6-8(7)5-3-4-1-2-4;1-2/h4-5H,1-3H2,(H,6,7);1-2H3/p-1.
What are the key properties of ethane;(sulfinatoamino)methylcyclopropane?
ethane;(sulfinatoamino)methylcyclopropane has a molecular weight of 164.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(sulfinatoamino)methylcyclopropane is sourced from PubChem (CID 153377057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).