1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol

C15H17NO3S — CID 65049610

IUPAC1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)c1cncc2ccccc12
InChIInChI=1S/C15H17NO3S/c1-20(18,19)14-7-4-8-15(14,17)13-10-16-9-11-5-2-3-6-12(11)13/h2-3,5-6,9-10,14,17H,4,7-8H2,1H3
InChIKeyPWDMNCNHKAKTAX-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.02
Rot. Bonds2

About 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol

1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65049610) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol
PubChem CID65049610
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)c1cncc2ccccc12
InChIInChI=1S/C15H17NO3S/c1-20(18,19)14-7-4-8-15(14,17)13-10-16-9-11-5-2-3-6-12(11)13/h2-3,5-6,9-10,14,17H,4,7-8H2,1H3
InChIKeyPWDMNCNHKAKTAX-UHFFFAOYSA-N
XLogP2.02
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Isoquinolin-4-yl)ethanol
CID 13465903
2-(Isoquinolin-4-yl)propan-2-ol
CID 12469529
2-Isoquinolin-4-yl-3-methylbutan-2-ol
CID 63938387
1-Isoquinolin-4-yl-1-phenylpropan-1-ol
CID 63938586
1-Isoquinolin-4-yl-1-phenylethanol
CID 63939165
3-Isoquinolin-4-yl-2-methylpentan-3-ol
CID 63939556
2-Isoquinolin-4-ylbutan-2-ol
CID 63941113
1-(5-Fluoro-3-pyridinyl)-2-methylsulfonylcyclopentan-1-ol
CID 65050249
4-(5-Fluoro-3-pyridinyl)-1,1-dioxo-2,3-dihydrothiochromen-4-ol
CID 81664076
2-Methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol
CID 102707353
5-Ethylsulfonyl-2-(5-fluoro-3-pyridinyl)pentan-2-ol
CID 108428317
1-(5-Fluoro-3-pyridinyl)-1-(3-methylsulfonylcyclohexyl)ethanol
CID 108428484

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol (CID 65049610) is 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is PWDMNCNHKAKTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20(18,19)14-7-4-8-15(14,17)13-10-16-9-11-5-2-3-6-12(11)13/h2-3,5-6,9-10,14,17H,4,7-8H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol?
1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 291.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65049610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).