5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]

C14H19NO2S — CID 168726724

IUPAC5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCS(=O)(=O)c1ccc2c(c1)C1(CCCCC1)CN2
InChIInChI=1S/C14H19NO2S/c1-18(16,17)11-5-6-13-12(9-11)14(10-15-13)7-3-2-4-8-14/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyVEIPAPRRXJZCIO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.72
Rot. Bonds1

About 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]

5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 168726724) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID168726724
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCS(=O)(=O)c1ccc2c(c1)C1(CCCCC1)CN2
InChIInChI=1S/C14H19NO2S/c1-18(16,17)11-5-6-13-12(9-11)14(10-15-13)7-3-2-4-8-14/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyVEIPAPRRXJZCIO-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole
CID 46941780
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
1-(2-fluoro-4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117484100
6-methylsulfonylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]-4-one
CID 82008505
4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 106701810
[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
CID 91141346
1-(2-methoxy-4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117497681
2-(1-aminocyclopentyl)-5-methylsulfonylphenol
CID 117391526
5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole
CID 174764020
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cycloheptane]-4-one
CID 115444956

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 168726724) is 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane] is CS(=O)(=O)c1ccc2c(c1)C1(CCCCC1)CN2.
What is the InChIKey of 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is VEIPAPRRXJZCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18(16,17)11-5-6-13-12(9-11)14(10-15-13)7-3-2-4-8-14/h5-6,9,15H,2-4,7-8,10H2,1H3.
What are the key properties of 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 265.38 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 168726724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).