3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol

C12H25NO3S — CID 79609274

IUPAC3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S/c1-4-12(14,5-2)9-11-7-6-8-13(10-11)17(3,15)16/h11,14H,4-10H2,1-3H3
InChIKeyYNOYAFURMPUWKO-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds5

About 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol

3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol (PubChem CID 79609274) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol
PubChem CID79609274
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S/c1-4-12(14,5-2)9-11-7-6-8-13(10-11)17(3,15)16/h11,14H,4-10H2,1-3H3
InChIKeyYNOYAFURMPUWKO-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol (CID 79609274) is 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol is CCC(O)(CC)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol?
The InChIKey is YNOYAFURMPUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-12(14,5-2)9-11-7-6-8-13(10-11)17(3,15)16/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol?
3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol has a molecular weight of 263.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol is sourced from PubChem (CID 79609274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).