2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]

C17H25NO2S — CID 110667496

IUPAC2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]
SMILESCCCS(=O)(=O)N1Cc2ccccc2C2(CCCCC2)C1
InChIInChI=1S/C17H25NO2S/c1-2-12-21(19,20)18-13-15-8-4-5-9-16(15)17(14-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-14H2,1H3
InChIKeyRFHDJHYTBRGJGV-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.44
Rot. Bonds3

About 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]

2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane] (PubChem CID 110667496) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane].

Molecular Properties

Compound Name2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]
PubChem CID110667496
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]
SMILESCCCS(=O)(=O)N1Cc2ccccc2C2(CCCCC2)C1
InChIInChI=1S/C17H25NO2S/c1-2-12-21(19,20)18-13-15-8-4-5-9-16(15)17(14-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-14H2,1H3
InChIKeyRFHDJHYTBRGJGV-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 276460
CID 276460
CID 14307716
CID 14307716
CID 14307719
CID 14307719
CID 753515
CID 753515
CID 863777
CID 863777
CID 3839722
CID 3839722
CID 6923554
CID 6923554
CID 12783216
CID 12783216
CID 14107006
CID 14107006
CID 14307678
CID 14307678
CID 14307683
CID 14307683
CID 669275
CID 669275

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]?
The IUPAC name of 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane] (CID 110667496) is 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane].
What is the SMILES notation for 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]?
The canonical SMILES for 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane] is CCCS(=O)(=O)N1Cc2ccccc2C2(CCCCC2)C1.
What is the InChIKey of 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]?
The InChIKey is RFHDJHYTBRGJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-12-21(19,20)18-13-15-8-4-5-9-16(15)17(14-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-14H2,1H3.
What are the key properties of 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]?
2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane] has a molecular weight of 307.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane] is sourced from PubChem (CID 110667496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).