2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile

C16H19NO3S — CID 79123828

IUPAC2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(O)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C16H19NO3S/c1-21(19,20)14-7-4-8-16(14,18)15(11-17)9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14,18H,4,7-10H2,1H3
InChIKeyHWCILDRLEARJSO-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.62
Rot. Bonds2

About 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile

2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79123828) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79123828
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(O)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C16H19NO3S/c1-21(19,20)14-7-4-8-16(14,18)15(11-17)9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14,18H,4,7-10H2,1H3
InChIKeyHWCILDRLEARJSO-UHFFFAOYSA-N
XLogP1.62
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79132874
1-benzyl-2-methylsulfonylcyclopentan-1-ol
CID 65049982
2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol
CID 65050091
1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
CID 80603084
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
CID 79123783
2-(4-hydroxy-2-methyloxan-4-yl)-1,3-dihydroindene-2-carbonitrile
CID 79132504
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65153658
2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
CID 65050038
2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79130072
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65045168

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile (CID 79123828) is 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile is CS(=O)(=O)C1CCCC1(O)C1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is HWCILDRLEARJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-21(19,20)14-7-4-8-16(14,18)15(11-17)9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14,18H,4,7-10H2,1H3.
What are the key properties of 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile?
2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 305.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79123828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).