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

C18H21N3O3S — CID 72544448

IUPAC1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)NCCCN1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H21N3O3S/c22-14(12-20-11-5-10-19-25(20,23)24)13-21-17-8-3-1-6-15(17)16-7-2-4-9-18(16)21/h1-4,6-9,14,19,22H,5,10-13H2
InChIKeyBBBPEHQCJMODKI-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.70
Rot. Bonds4

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

1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol (PubChem CID 72544448) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
PubChem CID72544448
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)NCCCN1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H21N3O3S/c22-14(12-20-11-5-10-19-25(20,23)24)13-21-17-8-3-1-6-15(17)16-7-2-4-9-18(16)21/h1-4,6-9,14,19,22H,5,10-13H2
InChIKeyBBBPEHQCJMODKI-UHFFFAOYSA-N
XLogP1.70
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol (CID 72544448) is 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol is O=S1(=O)NCCCN1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
The InChIKey is BBBPEHQCJMODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-14(12-20-11-5-10-19-25(20,23)24)13-21-17-8-3-1-6-15(17)16-7-2-4-9-18(16)21/h1-4,6-9,14,19,22H,5,10-13H2.
What are the key properties of 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol?
1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol has a molecular weight of 359.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol is sourced from PubChem (CID 72544448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).