1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol

C9H17NO4S — CID 167943862

IUPAC1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol
SMILESC=CS(=O)(=O)N1CCCC(O)(COC)C1
InChIInChI=1S/C9H17NO4S/c1-3-15(12,13)10-6-4-5-9(11,7-10)8-14-2/h3,11H,1,4-8H2,2H3
InChIKeyKZWGOSABQFOUHF-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.07
Rot. Bonds4

About 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol

1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol (PubChem CID 167943862) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol
PubChem CID167943862
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol
SMILESC=CS(=O)(=O)N1CCCC(O)(COC)C1
InChIInChI=1S/C9H17NO4S/c1-3-15(12,13)10-6-4-5-9(11,7-10)8-14-2/h3,11H,1,4-8H2,2H3
InChIKeyKZWGOSABQFOUHF-UHFFFAOYSA-N
XLogP-0.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol?
The IUPAC name of 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol (CID 167943862) is 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol?
The canonical SMILES for 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol is C=CS(=O)(=O)N1CCCC(O)(COC)C1.
What is the InChIKey of 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol?
The InChIKey is KZWGOSABQFOUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-3-15(12,13)10-6-4-5-9(11,7-10)8-14-2/h3,11H,1,4-8H2,2H3.
What are the key properties of 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol?
1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol has a molecular weight of 235.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol is sourced from PubChem (CID 167943862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).