[propyl(sulfinato)amino]methylcyclopropane

C7H14NO2S- — CID 122647028

IUPAC[propyl(sulfinato)amino]methylcyclopropane
SMILESCCCN(CC1CC1)S(=O)[O-]
InChIInChI=1S/C7H15NO2S/c1-2-5-8(11(9)10)6-7-3-4-7/h7H,2-6H2,1H3,(H,9,10)/p-1
InChIKeyANPFNCLXPQJGSG-UHFFFAOYSA-M
MW176.26 g/mol
LogP0.90
Rot. Bonds5

About [propyl(sulfinato)amino]methylcyclopropane

[propyl(sulfinato)amino]methylcyclopropane (PubChem CID 122647028) has the molecular formula C7H14NO2S- and a molecular weight of 176.26 g/mol. Its IUPAC name is [propyl(sulfinato)amino]methylcyclopropane.

Molecular Properties

Compound Name[propyl(sulfinato)amino]methylcyclopropane
PubChem CID122647028
Molecular FormulaC7H14NO2S-
Molecular Weight176.26 g/mol
Exact Mass176.08
IUPAC Name[propyl(sulfinato)amino]methylcyclopropane
SMILESCCCN(CC1CC1)S(=O)[O-]
InChIInChI=1S/C7H15NO2S/c1-2-5-8(11(9)10)6-7-3-4-7/h7H,2-6H2,1H3,(H,9,10)/p-1
InChIKeyANPFNCLXPQJGSG-UHFFFAOYSA-M
XLogP0.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.90
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 [propyl(sulfinato)amino]methylcyclopropane?
The IUPAC name of [propyl(sulfinato)amino]methylcyclopropane (CID 122647028) is [propyl(sulfinato)amino]methylcyclopropane.
What is the SMILES notation for [propyl(sulfinato)amino]methylcyclopropane?
The canonical SMILES for [propyl(sulfinato)amino]methylcyclopropane is CCCN(CC1CC1)S(=O)[O-].
What is the InChIKey of [propyl(sulfinato)amino]methylcyclopropane?
The InChIKey is ANPFNCLXPQJGSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO2S/c1-2-5-8(11(9)10)6-7-3-4-7/h7H,2-6H2,1H3,(H,9,10)/p-1.
What are the key properties of [propyl(sulfinato)amino]methylcyclopropane?
[propyl(sulfinato)amino]methylcyclopropane has a molecular weight of 176.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [propyl(sulfinato)amino]methylcyclopropane is sourced from PubChem (CID 122647028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).