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

C11H22N2O3S — CID 79622037

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCCC(CN2CCC(O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-5-2-3-10(8-13)7-12-6-4-11(14)9-12/h10-11,14H,2-9H2,1H3
InChIKeyFKZXDJJTMIVWTQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.28
Rot. Bonds3

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

1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 79622037) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
PubChem CID79622037
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCCC(CN2CCC(O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-5-2-3-10(8-13)7-12-6-4-11(14)9-12/h10-11,14H,2-9H2,1H3
InChIKeyFKZXDJJTMIVWTQ-UHFFFAOYSA-N
XLogP-0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol (CID 79622037) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol is CS(=O)(=O)N1CCCC(CN2CCC(O)C2)C1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FKZXDJJTMIVWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)13-5-2-3-10(8-13)7-12-6-4-11(14)9-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79622037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).