[methyl(sulfinato)amino]methylcyclopropane

C5H10NO2S- — CID 58392029

IUPAC[methyl(sulfinato)amino]methylcyclopropane
SMILESCN(CC1CC1)S(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-6(9(7)8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyXKYSDHVRTDAFLW-UHFFFAOYSA-M
MW148.21 g/mol
LogP0.12
Rot. Bonds3

About [methyl(sulfinato)amino]methylcyclopropane

[methyl(sulfinato)amino]methylcyclopropane (PubChem CID 58392029) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is [methyl(sulfinato)amino]methylcyclopropane.

Molecular Properties

Compound Name[methyl(sulfinato)amino]methylcyclopropane
PubChem CID58392029
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name[methyl(sulfinato)amino]methylcyclopropane
SMILESCN(CC1CC1)S(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-6(9(7)8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyXKYSDHVRTDAFLW-UHFFFAOYSA-M
XLogP0.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.12
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 [methyl(sulfinato)amino]methylcyclopropane?
The IUPAC name of [methyl(sulfinato)amino]methylcyclopropane (CID 58392029) is [methyl(sulfinato)amino]methylcyclopropane.
What is the SMILES notation for [methyl(sulfinato)amino]methylcyclopropane?
The canonical SMILES for [methyl(sulfinato)amino]methylcyclopropane is CN(CC1CC1)S(=O)[O-].
What is the InChIKey of [methyl(sulfinato)amino]methylcyclopropane?
The InChIKey is XKYSDHVRTDAFLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c1-6(9(7)8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)/p-1.
What are the key properties of [methyl(sulfinato)amino]methylcyclopropane?
[methyl(sulfinato)amino]methylcyclopropane has a molecular weight of 148.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfinato)amino]methylcyclopropane is sourced from PubChem (CID 58392029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).