2-methyl-1-sulfinoiminopropane

C4H9NO2S — CID 147140394

IUPAC2-methyl-1-sulfinoiminopropane
SMILESCC(C)C=NS(=O)O
InChIInChI=1S/C4H9NO2S/c1-4(2)3-5-8(6)7/h3-4H,1-2H3,(H,6,7)
InChIKeySUSYTDHDKYGMGK-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.85
Rot. Bonds2

About 2-methyl-1-sulfinoiminopropane

2-methyl-1-sulfinoiminopropane (PubChem CID 147140394) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-methyl-1-sulfinoiminopropane.

Molecular Properties

Compound Name2-methyl-1-sulfinoiminopropane
PubChem CID147140394
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name2-methyl-1-sulfinoiminopropane
SMILESCC(C)C=NS(=O)O
InChIInChI=1S/C4H9NO2S/c1-4(2)3-5-8(6)7/h3-4H,1-2H3,(H,6,7)
InChIKeySUSYTDHDKYGMGK-UHFFFAOYSA-N
XLogP0.85
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-sulfinoiminopropane?
The IUPAC name of 2-methyl-1-sulfinoiminopropane (CID 147140394) is 2-methyl-1-sulfinoiminopropane.
What is the SMILES notation for 2-methyl-1-sulfinoiminopropane?
The canonical SMILES for 2-methyl-1-sulfinoiminopropane is CC(C)C=NS(=O)O.
What is the InChIKey of 2-methyl-1-sulfinoiminopropane?
The InChIKey is SUSYTDHDKYGMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-4(2)3-5-8(6)7/h3-4H,1-2H3,(H,6,7).
What are the key properties of 2-methyl-1-sulfinoiminopropane?
2-methyl-1-sulfinoiminopropane has a molecular weight of 135.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-sulfinoiminopropane is sourced from PubChem (CID 147140394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).