1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol

C15H23NO3S2 — CID 79609797

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)CSc2ccccc2)C1
InChIInChI=1S/C15H23NO3S2/c1-21(18,19)16-9-5-6-13(11-16)10-14(17)12-20-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3
InChIKeyDFFXDWZHUVYART-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.20
Rot. Bonds6

About 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol

1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol (PubChem CID 79609797) has the molecular formula C15H23NO3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
PubChem CID79609797
Molecular FormulaC15H23NO3S2
Molecular Weight329.49 g/mol
Exact Mass329.11
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)CSc2ccccc2)C1
InChIInChI=1S/C15H23NO3S2/c1-21(18,19)16-9-5-6-13(11-16)10-14(17)12-20-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3
InChIKeyDFFXDWZHUVYART-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2-methylpropylsulfanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609309
1-[4-[(1-methylsulfonylpiperidin-3-yl)methylsulfanyl]phenyl]ethanol
CID 79620069
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol (CID 79609797) is 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol is CS(=O)(=O)N1CCCC(CC(O)CSc2ccccc2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is DFFXDWZHUVYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S2/c1-21(18,19)16-9-5-6-13(11-16)10-14(17)12-20-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol?
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 329.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 79609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).