[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol

C18H24N2O4S — CID 25383119

IUPAC[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@](CO)(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O4S/c1-14-17(15(2)24-19-14)25(22,23)20-10-6-9-18(12-20,13-21)11-16-7-4-3-5-8-16/h3-5,7-8,21H,6,9-13H2,1-2H3/t18-/m0/s1
InChIKeyXVTWEVHITKPCGY-SFHVURJKSA-N
MW364.47 g/mol
LogP2.30
Rot. Bonds5

About [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol

[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol (PubChem CID 25383119) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
PubChem CID25383119
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@](CO)(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O4S/c1-14-17(15(2)24-19-14)25(22,23)20-10-6-9-18(12-20,13-21)11-16-7-4-3-5-8-16/h3-5,7-8,21H,6,9-13H2,1-2H3/t18-/m0/s1
InChIKeyXVTWEVHITKPCGY-SFHVURJKSA-N
XLogP2.30
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 45210574
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149662
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45195580
N-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55451941
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 43034683
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176973
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72861309
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol (CID 25383119) is [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol is Cc1noc(C)c1S(=O)(=O)N1CCC[C@](CO)(Cc2ccccc2)C1.
What is the InChIKey of [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol?
The InChIKey is XVTWEVHITKPCGY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-14-17(15(2)24-19-14)25(22,23)20-10-6-9-18(12-20,13-21)11-16-7-4-3-5-8-16/h3-5,7-8,21H,6,9-13H2,1-2H3/t18-/m0/s1.
What are the key properties of [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol?
[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol has a molecular weight of 364.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol is sourced from PubChem (CID 25383119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).