[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol

C15H21NO3S — CID 72844633

IUPAC[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO3S/c1-2-9-15(13-17)10-6-11-16(12-15)20(18,19)14-7-4-3-5-8-14/h2-5,7-8,17H,1,6,9-13H2
InChIKeyUMYSAGBQPXJBQW-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.03
Rot. Bonds5

About [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol

[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 72844633) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID72844633
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO3S/c1-2-9-15(13-17)10-6-11-16(12-15)20(18,19)14-7-4-3-5-8-14/h2-5,7-8,17H,1,6,9-13H2
InChIKeyUMYSAGBQPXJBQW-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-benzylsulfonyl-3-prop-2-enylpiperidin-3-yl)methanol
CID 72887102
[(3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
CID 97140915
[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
CID 97137341
[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
CID 97130526
1-(benzenesulfonyl)-3-prop-2-ynylpiperidin-3-ol
CID 71662628
[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
CID 97133385
1-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 97112903
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
2-[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 97124499
[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 45210574
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 72844633) is [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is UMYSAGBQPXJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-9-15(13-17)10-6-11-16(12-15)20(18,19)14-7-4-3-5-8-14/h2-5,7-8,17H,1,6,9-13H2.
What are the key properties of [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol?
[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 295.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 72844633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).