(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate

C12H17NO3S — CID 86726091

IUPAC(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(c2ccccn2)CCCC1
InChIInChI=1S/C12H17NO3S/c1-17(14,15)16-10-12(7-3-4-8-12)11-6-2-5-9-13-11/h2,5-6,9H,3-4,7-8,10H2,1H3
InChIKeyBOXDFJCBKKDLJR-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.87
Rot. Bonds4

About (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate

(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate (PubChem CID 86726091) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate
PubChem CID86726091
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(c2ccccn2)CCCC1
InChIInChI=1S/C12H17NO3S/c1-17(14,15)16-10-12(7-3-4-8-12)11-6-2-5-9-13-11/h2,5-6,9H,3-4,7-8,10H2,1H3
InChIKeyBOXDFJCBKKDLJR-UHFFFAOYSA-N
XLogP1.87
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.87
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

3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
2-(1-pyridin-2-ylcycloheptyl)ethanamine
CID 83821963
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
3-pyridin-2-ylprop-2-ynyl methanesulfonate
CID 87880685
1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide
CID 138997292
(1-phenylcyclopentyl)methyl 4-methylbenzenesulfonate
CID 14936071
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535
(3-pyridin-2-ylthian-3-yl)methanamine
CID 83820526
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate
CID 59030625
2-(3-pyridin-2-yloxan-3-yl)acetic acid
CID 83822542

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate?
The IUPAC name of (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate (CID 86726091) is (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate.
What is the SMILES notation for (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate?
The canonical SMILES for (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate is CS(=O)(=O)OCC1(c2ccccn2)CCCC1.
What is the InChIKey of (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate?
The InChIKey is BOXDFJCBKKDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(14,15)16-10-12(7-3-4-8-12)11-6-2-5-9-13-11/h2,5-6,9H,3-4,7-8,10H2,1H3.
What are the key properties of (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate?
(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate has a molecular weight of 255.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-2-ylcyclopentyl)methyl methanesulfonate is sourced from PubChem (CID 86726091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).