1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol

C19H20F2N2O3S — CID 72544447

IUPAC1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)CCCCN1CC(O)Cn1c2ccc(F)cc2c2ccc(F)cc21
InChIInChI=1S/C19H20F2N2O3S/c20-13-4-6-18-17(9-13)16-5-3-14(21)10-19(16)23(18)12-15(24)11-22-7-1-2-8-27(22,25)26/h3-6,9-10,15,24H,1-2,7-8,11-12H2
InChIKeyRVNBVNLGQWBKSJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.86
Rot. Bonds4

About 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol

1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol (PubChem CID 72544447) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
PubChem CID72544447
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)CCCCN1CC(O)Cn1c2ccc(F)cc2c2ccc(F)cc21
InChIInChI=1S/C19H20F2N2O3S/c20-13-4-6-18-17(9-13)16-5-3-14(21)10-19(16)23(18)12-15(24)11-22-7-1-2-8-27(22,25)26/h3-6,9-10,15,24H,1-2,7-8,11-12H2
InChIKeyRVNBVNLGQWBKSJ-UHFFFAOYSA-N
XLogP2.86
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
CID 135284908
1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol
CID 127037260
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
1-(5-cyclohexyl-1,2,5-thiadiazinan-2-yl)-3-(3,6-difluorocarbazol-9-yl)propan-2-ol
CID 135284887
1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
CID 118415390
(5R)-1-[(2S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-5-methylpyrrolidin-2-one
CID 118415369
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209
1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol
CID 135284918
N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
CID 123473488

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol (CID 72544447) is 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol is O=S1(=O)CCCCN1CC(O)Cn1c2ccc(F)cc2c2ccc(F)cc21.
What is the InChIKey of 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
The InChIKey is RVNBVNLGQWBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c20-13-4-6-18-17(9-13)16-5-3-14(21)10-19(16)23(18)12-15(24)11-22-7-1-2-8-27(22,25)26/h3-6,9-10,15,24H,1-2,7-8,11-12H2.
What are the key properties of 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol has a molecular weight of 394.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol is sourced from PubChem (CID 72544447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).