methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate

C14H25NO5S — CID 79536268

IUPACmethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H25NO5S/c1-10(14(17)20-2)21(18,19)15-9-4-3-7-12(15)11-6-5-8-13(11)16/h10-13,16H,3-9H2,1-2H3
InChIKeyKALHGLGRWKBHFQ-UHFFFAOYSA-N
MW319.42 g/mol
LogP0.89
Rot. Bonds4

About methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate

methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate (PubChem CID 79536268) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate
PubChem CID79536268
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Namemethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H25NO5S/c1-10(14(17)20-2)21(18,19)15-9-4-3-7-12(15)11-6-5-8-13(11)16/h10-13,16H,3-9H2,1-2H3
InChIKeyKALHGLGRWKBHFQ-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate?
The IUPAC name of methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate (CID 79536268) is methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate.
What is the SMILES notation for methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate?
The canonical SMILES for methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate is COC(=O)C(C)S(=O)(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate?
The InChIKey is KALHGLGRWKBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c1-10(14(17)20-2)21(18,19)15-9-4-3-7-12(15)11-6-5-8-13(11)16/h10-13,16H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate?
methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate has a molecular weight of 319.42 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylpropanoate is sourced from PubChem (CID 79536268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).