[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol

C17H25NO3S — CID 15707467

IUPAC[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC3(CCCCC3)CC2CO)cc1
InChIInChI=1S/C17H25NO3S/c1-14-5-7-16(8-6-14)22(20,21)18-13-17(11-15(18)12-19)9-3-2-4-10-17/h5-8,15,19H,2-4,9-13H2,1H3
InChIKeyQHQBXOUUZJTPLQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.70
Rot. Bonds3

About [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol

[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol (PubChem CID 15707467) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
PubChem CID15707467
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC3(CCCCC3)CC2CO)cc1
InChIInChI=1S/C17H25NO3S/c1-14-5-7-16(8-6-14)22(20,21)18-13-17(11-15(18)12-19)9-3-2-4-10-17/h5-8,15,19H,2-4,9-13H2,1H3
InChIKeyQHQBXOUUZJTPLQ-UHFFFAOYSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-3-(nitromethyl)-2-azaspiro[4.5]decane
CID 51032313
3-[(4-methylphenyl)sulfanylmethyl]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decane
CID 132574259
2-(4-methylphenyl)sulfonyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2-azaspiro[4.5]decane
CID 122216127
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
1-[[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-2,2,6,6-tetramethylpiperidine
CID 78099254
2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 134964505
6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane
CID 168897842
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032
4,4-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102531055
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
9-(4-methylphenyl)sulfonyl-8-[(E)-2-phenylethenyl]-9-azaspiro[5.6]dodecane
CID 165177345
2-(iodomethyl)-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102531052

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol (CID 15707467) is [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol is Cc1ccc(S(=O)(=O)N2CC3(CCCCC3)CC2CO)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol?
The InChIKey is QHQBXOUUZJTPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-14-5-7-16(8-6-14)22(20,21)18-13-17(11-15(18)12-19)9-3-2-4-10-17/h5-8,15,19H,2-4,9-13H2,1H3.
What are the key properties of [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol?
[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol has a molecular weight of 323.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 15707467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).