(1-cyclohexylpiperidin-2-yl) methanesulfonate

C12H23NO3S — CID 169133057

IUPAC(1-cyclohexylpiperidin-2-yl) methanesulfonate
SMILESCS(=O)(=O)OC1CCCCN1C1CCCCC1
InChIInChI=1S/C12H23NO3S/c1-17(14,15)16-12-9-5-6-10-13(12)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3
InChIKeyPPDXLDMPDUXZLZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.11
Rot. Bonds3

About (1-cyclohexylpiperidin-2-yl) methanesulfonate

(1-cyclohexylpiperidin-2-yl) methanesulfonate (PubChem CID 169133057) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (1-cyclohexylpiperidin-2-yl) methanesulfonate.

Molecular Properties

Compound Name(1-cyclohexylpiperidin-2-yl) methanesulfonate
PubChem CID169133057
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name(1-cyclohexylpiperidin-2-yl) methanesulfonate
SMILESCS(=O)(=O)OC1CCCCN1C1CCCCC1
InChIInChI=1S/C12H23NO3S/c1-17(14,15)16-12-9-5-6-10-13(12)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3
InChIKeyPPDXLDMPDUXZLZ-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(1-Methylpiperidin-2-yl)methyl methanesulfonate
CID 44627021
[(2S)-1-methylpiperidin-2-yl]methyl methanesulfonate
CID 59556510
[(1R,2R)-2-piperidin-1-ylcyclohexyl] methanesulfonate
CID 89339198
(1-Methylpiperidin-2-yl) methanesulfonate
CID 178969848
N-ethyl-N-[1-(5-methoxypentyl)piperidin-4-yl]methanesulfonamide
CID 60322878
2-(1-Propan-2-ylpiperidin-4-yl)ethyl methanesulfonate
CID 71500529
2-[1-(Cyclohexylmethyl)piperidin-4-yl]ethyl methanesulfonate
CID 71500532
5-(1-Piperidyl)pentyl Methanesulfonate Hydrochloride
CID 169498086
5-Piperidin-1-ylpentyl methanesulfonate
CID 169498087

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpiperidin-2-yl) methanesulfonate?
The IUPAC name of (1-cyclohexylpiperidin-2-yl) methanesulfonate (CID 169133057) is (1-cyclohexylpiperidin-2-yl) methanesulfonate.
What is the SMILES notation for (1-cyclohexylpiperidin-2-yl) methanesulfonate?
The canonical SMILES for (1-cyclohexylpiperidin-2-yl) methanesulfonate is CS(=O)(=O)OC1CCCCN1C1CCCCC1.
What is the InChIKey of (1-cyclohexylpiperidin-2-yl) methanesulfonate?
The InChIKey is PPDXLDMPDUXZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(14,15)16-12-9-5-6-10-13(12)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3.
What are the key properties of (1-cyclohexylpiperidin-2-yl) methanesulfonate?
(1-cyclohexylpiperidin-2-yl) methanesulfonate has a molecular weight of 261.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpiperidin-2-yl) methanesulfonate is sourced from PubChem (CID 169133057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).