2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol

C15H21NO3S — CID 65050091

IUPAC2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1NCCc2ccccc21
InChIInChI=1S/C15H21NO3S/c1-20(18,19)13-7-4-9-15(13,17)14-12-6-3-2-5-11(12)8-10-16-14/h2-3,5-6,13-14,16-17H,4,7-10H2,1H3
InChIKeyOVHKKWQKQZDFCX-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.20
Rot. Bonds2

About 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol

2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol (PubChem CID 65050091) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol
PubChem CID65050091
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1NCCc2ccccc21
InChIInChI=1S/C15H21NO3S/c1-20(18,19)13-7-4-9-15(13,17)14-12-6-3-2-5-11(12)8-10-16-14/h2-3,5-6,13-14,16-17H,4,7-10H2,1H3
InChIKeyOVHKKWQKQZDFCX-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
CID 106873973
3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
CID 80561247
8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol
CID 114819645
2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile
CID 79123828
1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
CID 65041706
1-(2,3-dihydro-1H-isoindol-1-yl)cyclobutan-1-ol
CID 79080572
3-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one
CID 116562104
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793
(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline
CID 59542246
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 65106578
1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridin-4a-yl(piperidin-1-yl)methanone
CID 68500746
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103308291

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol (CID 65050091) is 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)C1NCCc2ccccc21.
What is the InChIKey of 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol?
The InChIKey is OVHKKWQKQZDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-20(18,19)13-7-4-9-15(13,17)14-12-6-3-2-5-11(12)8-10-16-14/h2-3,5-6,13-14,16-17H,4,7-10H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol?
2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 65050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).