1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol

C16H26FNO2S2 — CID 70388628

IUPAC1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol
SMILESCCCS(=O)CCCN(C)CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C16H26FNO2S2/c1-3-10-22(20)11-4-9-18(2)12-15(19)13-21-16-7-5-14(17)6-8-16/h5-8,15,19H,3-4,9-13H2,1-2H3
InChIKeyAFSIAADHRKFRFV-UHFFFAOYSA-N
MW347.52 g/mol
LogP2.76
Rot. Bonds11

About 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol

1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol (PubChem CID 70388628) has the molecular formula C16H26FNO2S2 and a molecular weight of 347.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol
PubChem CID70388628
Molecular FormulaC16H26FNO2S2
Molecular Weight347.52 g/mol
Exact Mass347.14
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol
SMILESCCCS(=O)CCCN(C)CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C16H26FNO2S2/c1-3-10-22(20)11-4-9-18(2)12-15(19)13-21-16-7-5-14(17)6-8-16/h5-8,15,19H,3-4,9-13H2,1-2H3
InChIKeyAFSIAADHRKFRFV-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate
CID 128124
1-(Azepan-1-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 70684266
1-(2-Fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
CID 54355213
1-(4-Fluorophenyl)sulfanyl-3-[methyl(3-propylsulfanylpropyl)amino]propan-2-ol
CID 70388861
3-(4-Fluorophenyl)sulfanyl-1-[methyl(3-propylsulfanylpropyl)amino]propan-1-ol
CID 70388863
1-(4-Fluorophenyl)sulfinyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol
CID 70389340
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140507732
(3S,4R)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140545345
(3S,4R)-1-ethyl-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 145736769
3-(Dimethylamino)-1-(4-fluorophenyl)sulfanylpropan-1-ol
CID 20572808
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-[(2-Fluorophenyl)thio]-3-(propylamino)-2-propanol
CID 43166336

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol (CID 70388628) is 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol is CCCS(=O)CCCN(C)CC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol?
The InChIKey is AFSIAADHRKFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S2/c1-3-10-22(20)11-4-9-18(2)12-15(19)13-21-16-7-5-14(17)6-8-16/h5-8,15,19H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol?
1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol has a molecular weight of 347.52 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol is sourced from PubChem (CID 70388628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).