1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol

C10H21NO3S — CID 174389196

IUPAC1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO3S/c1-9(12)10-4-3-5-11(8-10)6-7-15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyBSGKVAQKLQVMRM-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.12
Rot. Bonds4

About 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol

1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol (PubChem CID 174389196) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol
PubChem CID174389196
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO3S/c1-9(12)10-4-3-5-11(8-10)6-7-15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyBSGKVAQKLQVMRM-UHFFFAOYSA-N
XLogP0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol (CID 174389196) is 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol is CC(O)C1CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol?
The InChIKey is BSGKVAQKLQVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(12)10-4-3-5-11(8-10)6-7-15(2,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol?
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 174389196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).