1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol

C18H20N2O4S — CID 127037260

IUPAC1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol
SMILESO=S1(=O)COCCN1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20N2O4S/c21-14(11-19-9-10-24-13-25(19,22)23)12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,14,21H,9-13H2
InChIKeyUVCKEMWWTQKUEA-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.77
Rot. Bonds4

About 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol

1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol (PubChem CID 127037260) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol
PubChem CID127037260
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol
SMILESO=S1(=O)COCCN1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20N2O4S/c21-14(11-19-9-10-24-13-25(19,22)23)12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,14,21H,9-13H2
InChIKeyUVCKEMWWTQKUEA-UHFFFAOYSA-N
XLogP1.77
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
CID 72544447
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 109471037
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
CID 118423656
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol (CID 127037260) is 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol is O=S1(=O)COCCN1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol?
The InChIKey is UVCKEMWWTQKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-14(11-19-9-10-24-13-25(19,22)23)12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,14,21H,9-13H2.
What are the key properties of 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol?
1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol has a molecular weight of 360.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol is sourced from PubChem (CID 127037260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).