[(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol

C15H20FNO3S — CID 97114007

IUPAC[(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO3S/c1-2-7-15(12-18)8-4-9-17(11-15)21(19,20)14-6-3-5-13(16)10-14/h2-3,5-6,10,18H,1,4,7-9,11-12H2/t15-/m1/s1
InChIKeyGZQQCWQGFFSRKV-OAHLLOKOSA-N
MW313.39 g/mol
LogP2.16
Rot. Bonds5

About [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol

[(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97114007) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97114007
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name[(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO3S/c1-2-7-15(12-18)8-4-9-17(11-15)21(19,20)14-6-3-5-13(16)10-14/h2-3,5-6,10,18H,1,4,7-9,11-12H2/t15-/m1/s1
InChIKeyGZQQCWQGFFSRKV-OAHLLOKOSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.16
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-(4-Fluorophenylsulfonyl)piperidin-3-yl)methanol
CID 3245709
{4-(3-Fluorobenzyl)-1-[(3-fluorophenyl)sulfonyl]piperidin-4-yl}methanol
CID 16187769
3-Fluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686944
{3-Allyl-1-[(2-fluorophenyl)sulfonyl]-3-piperidinyl}methanol
CID 72849284
7-(3-Fluorobenzenesulfonyl)-1-methoxy-7-azaspiro[3.5]nonane
CID 124075333
{3-Allyl-1-[2-(phenylsulfonyl)ethyl]piperidin-3-yl}methanol
CID 70752283
(1-Tosylpiperidin-3-yl)methanol
CID 3318640
1-(4-Fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 28345247
{3-Benzyl-1-[(5-fluoro-2-methylphenyl)sulfonyl]-3-piperidinyl}methanol
CID 45189526
{3-Benzyl-1-[(2,4-difluorophenyl)sulfonyl]-3-piperidinyl}methanol
CID 45210574
1-((2,6-Difluorophenyl)sulfonyl)-3-((prop-2-yn-1-yloxy)methyl)piperidine
CID 49669984
1-[1-(3,5-Difluorobenzenesulfonyl)piperidin-3-yl]ethan-1-ol
CID 75387296

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol (CID 97114007) is [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is GZQQCWQGFFSRKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-2-7-15(12-18)8-4-9-17(11-15)21(19,20)14-6-3-5-13(16)10-14/h2-3,5-6,10,18H,1,4,7-9,11-12H2/t15-/m1/s1.
What are the key properties of [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
[(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 313.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97114007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).