methyl pyrrolidine-1-sulfinate

C5H11NO2S — CID 21334358

IUPACmethyl pyrrolidine-1-sulfinate
SMILESCOS(=O)N1CCCC1
InChIInChI=1S/C5H11NO2S/c1-8-9(7)6-4-2-3-5-6/h2-5H2,1H3
InChIKeyBVMRBHAJRLQVOD-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.31
Rot. Bonds2

About methyl pyrrolidine-1-sulfinate

methyl pyrrolidine-1-sulfinate (PubChem CID 21334358) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is methyl pyrrolidine-1-sulfinate.

Molecular Properties

Compound Namemethyl pyrrolidine-1-sulfinate
PubChem CID21334358
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Namemethyl pyrrolidine-1-sulfinate
SMILESCOS(=O)N1CCCC1
InChIInChI=1S/C5H11NO2S/c1-8-9(7)6-4-2-3-5-6/h2-5H2,1H3
InChIKeyBVMRBHAJRLQVOD-UHFFFAOYSA-N
XLogP0.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl pyrrolidine-1-sulfinate?
The IUPAC name of methyl pyrrolidine-1-sulfinate (CID 21334358) is methyl pyrrolidine-1-sulfinate.
What is the SMILES notation for methyl pyrrolidine-1-sulfinate?
The canonical SMILES for methyl pyrrolidine-1-sulfinate is COS(=O)N1CCCC1.
What is the InChIKey of methyl pyrrolidine-1-sulfinate?
The InChIKey is BVMRBHAJRLQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-8-9(7)6-4-2-3-5-6/h2-5H2,1H3.
What are the key properties of methyl pyrrolidine-1-sulfinate?
methyl pyrrolidine-1-sulfinate has a molecular weight of 149.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolidine-1-sulfinate is sourced from PubChem (CID 21334358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).