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

C18H19F2N3O3S — CID 72544223

IUPAC1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)NCCCN1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H19F2N3O3S/c19-12-2-4-17-15(8-12)16-9-13(20)3-5-18(16)23(17)11-14(24)10-22-7-1-6-21-27(22,25)26/h2-5,8-9,14,21,24H,1,6-7,10-11H2
InChIKeyZTOXABGHJXBMKC-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.97
Rot. Bonds4

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

1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol (PubChem CID 72544223) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
PubChem CID72544223
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)NCCCN1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H19F2N3O3S/c19-12-2-4-17-15(8-12)16-9-13(20)3-5-18(16)23(17)11-14(24)10-22-7-1-6-21-27(22,25)26/h2-5,8-9,14,21,24H,1,6-7,10-11H2
InChIKeyZTOXABGHJXBMKC-UHFFFAOYSA-N
XLogP1.97
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
The IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol (CID 72544223) is 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol is O=S1(=O)NCCCN1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
The InChIKey is ZTOXABGHJXBMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-12-2-4-17-15(8-12)16-9-13(20)3-5-18(16)23(17)11-14(24)10-22-7-1-6-21-27(22,25)26/h2-5,8-9,14,21,24H,1,6-7,10-11H2.
What are the key properties of 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol has a molecular weight of 395.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-difluorocarbazol-9-yl)-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol is sourced from PubChem (CID 72544223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).