methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate

C15H27NO4S — CID 61454276

IUPACmethyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H27NO4S/c1-20-15(17)11-14-9-5-6-10-16(14)21(18,19)12-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3
InChIKeyGHONEHWZXFNKQP-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate

methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate (PubChem CID 61454276) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate
PubChem CID61454276
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Namemethyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H27NO4S/c1-20-15(17)11-14-9-5-6-10-16(14)21(18,19)12-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3
InChIKeyGHONEHWZXFNKQP-UHFFFAOYSA-N
XLogP2.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]acetate
CID 83048178
2-(4-Methyl-1-methylsulfonylpiperidin-2-yl)acetic acid
CID 54074495
methyl (2S)-1-[(cyclohexylmethyl)sulfonyl]-2-piperidinecarboxylate
CID 57106621
Methyl 4-(1-methylsulfonylpiperidin-4-yl)butanoate
CID 59786127
Methyl(1R*,4S*,6R*)-2-(butyl sulfonyl)-2-azabicyclo[2.2.2]octane-6-carboxylate
CID 68430090
Ethyl 1,1-dioxo-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-b]thiazine-4-carboxylate
CID 178749372
1-(Cyclohexylmethylsulfonyl)piperidine-2-carboxylate
CID 23000734
Methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate
CID 54899393
Methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate
CID 54899623
Methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate
CID 54899624
2-[1-(2-Methoxyethylsulfonyl)piperidin-2-yl]acetic acid
CID 55009938
Methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate
CID 55014539

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate (CID 61454276) is methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate?
The InChIKey is GHONEHWZXFNKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-20-15(17)11-14-9-5-6-10-16(14)21(18,19)12-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3.
What are the key properties of methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate?
methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate has a molecular weight of 317.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61454276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).