methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate

C13H23NO5S — CID 103342459

IUPACmethyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C13H23NO5S/c1-19-13(16)11-6-4-7-12(11)20(17,18)14-8-3-2-5-10(14)9-15/h10-12,15H,2-9H2,1H3
InChIKeyHSQAJTSIJWPZGZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate

methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate (PubChem CID 103342459) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
PubChem CID103342459
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Namemethyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C13H23NO5S/c1-19-13(16)11-6-4-7-12(11)20(17,18)14-8-3-2-5-10(14)9-15/h10-12,15H,2-9H2,1H3
InChIKeyHSQAJTSIJWPZGZ-UHFFFAOYSA-N
XLogP0.50
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(hydroxymethyl)azepan-1-yl]sulfonylacetate
CID 116636738
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(3-hydroxy-3-methylazetidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 107215602
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
2,3-bis(methoxycarbonyl)cyclohexane-1-sulfonic acid
CID 134222553
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate (CID 103342459) is methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
The InChIKey is HSQAJTSIJWPZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-19-13(16)11-6-4-7-12(11)20(17,18)14-8-3-2-5-10(14)9-15/h10-12,15H,2-9H2,1H3.
What are the key properties of methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 103342459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).