methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate

C14H25NO5S — CID 106835677

IUPACmethyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C14H25NO5S/c1-10(16)11-6-8-15(9-7-11)21(18,19)13-5-3-4-12(13)14(17)20-2/h10-13,16H,3-9H2,1-2H3
InChIKeyLKFRQADYPXTXFG-UHFFFAOYSA-N
MW319.42 g/mol
LogP0.75
Rot. Bonds4

About methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate

methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate (PubChem CID 106835677) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
PubChem CID106835677
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Namemethyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C14H25NO5S/c1-10(16)11-6-8-15(9-7-11)21(18,19)13-5-3-4-12(13)14(17)20-2/h10-13,16H,3-9H2,1-2H3
InChIKeyLKFRQADYPXTXFG-UHFFFAOYSA-N
XLogP0.75
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
methyl 2-(3-hydroxy-3-methylazetidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 107215602
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 103342459
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylcyclohexane-1-carboxylate;hydrochloride
CID 120876999
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
CID 103343209

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate (CID 106835677) is methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
The InChIKey is LKFRQADYPXTXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c1-10(16)11-6-8-15(9-7-11)21(18,19)13-5-3-4-12(13)14(17)20-2/h10-13,16H,3-9H2,1-2H3.
What are the key properties of methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate?
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate has a molecular weight of 319.42 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 106835677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).