piperidin-1-yl methanesulfinate

C6H13NO2S — CID 22094622

IUPACpiperidin-1-yl methanesulfinate
SMILESCS(=O)ON1CCCCC1
InChIInChI=1S/C6H13NO2S/c1-10(8)9-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyUKDOLRDWEKBRCI-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.70
Rot. Bonds2

About piperidin-1-yl methanesulfinate

piperidin-1-yl methanesulfinate (PubChem CID 22094622) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is piperidin-1-yl methanesulfinate.

Molecular Properties

Compound Namepiperidin-1-yl methanesulfinate
PubChem CID22094622
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Namepiperidin-1-yl methanesulfinate
SMILESCS(=O)ON1CCCCC1
InChIInChI=1S/C6H13NO2S/c1-10(8)9-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyUKDOLRDWEKBRCI-UHFFFAOYSA-N
XLogP0.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl methanesulfinate?
The IUPAC name of piperidin-1-yl methanesulfinate (CID 22094622) is piperidin-1-yl methanesulfinate.
What is the SMILES notation for piperidin-1-yl methanesulfinate?
The canonical SMILES for piperidin-1-yl methanesulfinate is CS(=O)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl methanesulfinate?
The InChIKey is UKDOLRDWEKBRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8)9-7-5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of piperidin-1-yl methanesulfinate?
piperidin-1-yl methanesulfinate has a molecular weight of 163.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl methanesulfinate is sourced from PubChem (CID 22094622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).