(sulfinoamino)methylcyclopropane

C4H9NO2S — CID 57056753

IUPAC(sulfinoamino)methylcyclopropane
SMILESO=S(O)NCC1CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)5-3-4-1-2-4/h4-5H,1-3H2,(H,6,7)
InChIKeyIGMFUKJYKXAVCP-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.12
Rot. Bonds3

About (sulfinoamino)methylcyclopropane

(sulfinoamino)methylcyclopropane (PubChem CID 57056753) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (sulfinoamino)methylcyclopropane.

Molecular Properties

Compound Name(sulfinoamino)methylcyclopropane
PubChem CID57056753
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(sulfinoamino)methylcyclopropane
SMILESO=S(O)NCC1CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)5-3-4-1-2-4/h4-5H,1-3H2,(H,6,7)
InChIKeyIGMFUKJYKXAVCP-UHFFFAOYSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (sulfinoamino)methylcyclopropane?
The IUPAC name of (sulfinoamino)methylcyclopropane (CID 57056753) is (sulfinoamino)methylcyclopropane.
What is the SMILES notation for (sulfinoamino)methylcyclopropane?
The canonical SMILES for (sulfinoamino)methylcyclopropane is O=S(O)NCC1CC1.
What is the InChIKey of (sulfinoamino)methylcyclopropane?
The InChIKey is IGMFUKJYKXAVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c6-8(7)5-3-4-1-2-4/h4-5H,1-3H2,(H,6,7).
What are the key properties of (sulfinoamino)methylcyclopropane?
(sulfinoamino)methylcyclopropane has a molecular weight of 135.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinoamino)methylcyclopropane is sourced from PubChem (CID 57056753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).