[ethyl(sulfinato)amino]methylcyclopropane

C6H12NO2S- — CID 134590496

IUPAC[ethyl(sulfinato)amino]methylcyclopropane
SMILESCCN(CC1CC1)S(=O)[O-]
InChIInChI=1S/C6H13NO2S/c1-2-7(10(8)9)5-6-3-4-6/h6H,2-5H2,1H3,(H,8,9)/p-1
InChIKeyAUCHYJIZUGEGSZ-UHFFFAOYSA-M
MW162.23 g/mol
LogP0.51
Rot. Bonds4

About [ethyl(sulfinato)amino]methylcyclopropane

[ethyl(sulfinato)amino]methylcyclopropane (PubChem CID 134590496) has the molecular formula C6H12NO2S- and a molecular weight of 162.23 g/mol. Its IUPAC name is [ethyl(sulfinato)amino]methylcyclopropane.

Molecular Properties

Compound Name[ethyl(sulfinato)amino]methylcyclopropane
PubChem CID134590496
Molecular FormulaC6H12NO2S-
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name[ethyl(sulfinato)amino]methylcyclopropane
SMILESCCN(CC1CC1)S(=O)[O-]
InChIInChI=1S/C6H13NO2S/c1-2-7(10(8)9)5-6-3-4-6/h6H,2-5H2,1H3,(H,8,9)/p-1
InChIKeyAUCHYJIZUGEGSZ-UHFFFAOYSA-M
XLogP0.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
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 [ethyl(sulfinato)amino]methylcyclopropane?
The IUPAC name of [ethyl(sulfinato)amino]methylcyclopropane (CID 134590496) is [ethyl(sulfinato)amino]methylcyclopropane.
What is the SMILES notation for [ethyl(sulfinato)amino]methylcyclopropane?
The canonical SMILES for [ethyl(sulfinato)amino]methylcyclopropane is CCN(CC1CC1)S(=O)[O-].
What is the InChIKey of [ethyl(sulfinato)amino]methylcyclopropane?
The InChIKey is AUCHYJIZUGEGSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2S/c1-2-7(10(8)9)5-6-3-4-6/h6H,2-5H2,1H3,(H,8,9)/p-1.
What are the key properties of [ethyl(sulfinato)amino]methylcyclopropane?
[ethyl(sulfinato)amino]methylcyclopropane has a molecular weight of 162.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(sulfinato)amino]methylcyclopropane is sourced from PubChem (CID 134590496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).