methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate

C14H25NO4S — CID 86819368

IUPACmethyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H25NO4S/c1-10-7-11(2)9-15(8-10)20(17,18)13-6-4-5-12(13)14(16)19-3/h10-13H,4-9H2,1-3H3
InChIKeyAPPODDVGVZFLMA-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.64
Rot. Bonds3

About methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate

methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate (PubChem CID 86819368) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate
PubChem CID86819368
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Namemethyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H25NO4S/c1-10-7-11(2)9-15(8-10)20(17,18)13-6-4-5-12(13)14(16)19-3/h10-13H,4-9H2,1-3H3
InChIKeyAPPODDVGVZFLMA-UHFFFAOYSA-N
XLogP1.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate (CID 86819368) is methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is APPODDVGVZFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-10-7-11(2)9-15(8-10)20(17,18)13-6-4-5-12(13)14(16)19-3/h10-13H,4-9H2,1-3H3.
What are the key properties of methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate?
methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 303.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 86819368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).