1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol

C20H23NO2S — CID 109471037

IUPAC1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESOC(CSC1CCOCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H23NO2S/c22-15(14-24-16-9-11-23-12-10-16)13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,22H,9-14H2
InChIKeyQBLDUCOSSTXVAU-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.07
Rot. Bonds5

About 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol

1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol (PubChem CID 109471037) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol
PubChem CID109471037
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESOC(CSC1CCOCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H23NO2S/c22-15(14-24-16-9-11-23-12-10-16)13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,22H,9-14H2
InChIKeyQBLDUCOSSTXVAU-UHFFFAOYSA-N
XLogP4.07
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
(2S)-1-carbazol-9-yl-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 782148
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid
CID 126956873
10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
CID 7337905
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 6973791
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol
CID 127037260
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
1-(2-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625961

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol (CID 109471037) is 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol is OC(CSC1CCOCC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol?
The InChIKey is QBLDUCOSSTXVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-15(14-24-16-9-11-23-12-10-16)13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,22H,9-14H2.
What are the key properties of 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol?
1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol has a molecular weight of 341.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 109471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).