(sulfinatoamino)methylcyclopropane

C4H8NO2S- — CID 57056752

IUPAC(sulfinatoamino)methylcyclopropane
SMILESO=S([O-])NCC1CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)5-3-4-1-2-4/h4-5H,1-3H2,(H,6,7)/p-1
InChIKeyIGMFUKJYKXAVCP-UHFFFAOYSA-M
MW134.18 g/mol
LogP-0.22
Rot. Bonds3

About (sulfinatoamino)methylcyclopropane

(sulfinatoamino)methylcyclopropane (PubChem CID 57056752) has the molecular formula C4H8NO2S- and a molecular weight of 134.18 g/mol. Its IUPAC name is (sulfinatoamino)methylcyclopropane.

Molecular Properties

Compound Name(sulfinatoamino)methylcyclopropane
PubChem CID57056752
Molecular FormulaC4H8NO2S-
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name(sulfinatoamino)methylcyclopropane
SMILESO=S([O-])NCC1CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)5-3-4-1-2-4/h4-5H,1-3H2,(H,6,7)/p-1
InChIKeyIGMFUKJYKXAVCP-UHFFFAOYSA-M
XLogP-0.22
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.22
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 (sulfinatoamino)methylcyclopropane?
The IUPAC name of (sulfinatoamino)methylcyclopropane (CID 57056752) is (sulfinatoamino)methylcyclopropane.
What is the SMILES notation for (sulfinatoamino)methylcyclopropane?
The canonical SMILES for (sulfinatoamino)methylcyclopropane is O=S([O-])NCC1CC1.
What is the InChIKey of (sulfinatoamino)methylcyclopropane?
The InChIKey is IGMFUKJYKXAVCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2S/c6-8(7)5-3-4-1-2-4/h4-5H,1-3H2,(H,6,7)/p-1.
What are the key properties of (sulfinatoamino)methylcyclopropane?
(sulfinatoamino)methylcyclopropane has a molecular weight of 134.18 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinatoamino)methylcyclopropane is sourced from PubChem (CID 57056752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).