(2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol

C19H22N2O3S — CID 71816520

IUPAC(2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H22N2O3S/c22-15(13-20-11-5-6-12-25(20,23)24)14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,7-10,15,22H,5-6,11-14H2/t15-/m1/s1
InChIKeyKQSYLMFIQXXHQD-OAHLLOKOSA-N
MW358.46 g/mol
LogP2.58
Rot. Bonds4

About (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol

(2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol (PubChem CID 71816520) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
PubChem CID71816520
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
SMILESO=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H22N2O3S/c22-15(13-20-11-5-6-12-25(20,23)24)14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,7-10,15,22H,5-6,11-14H2/t15-/m1/s1
InChIKeyKQSYLMFIQXXHQD-OAHLLOKOSA-N
XLogP2.58
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol (CID 71816520) is (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol is O=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
The InChIKey is KQSYLMFIQXXHQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-15(13-20-11-5-6-12-25(20,23)24)14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,7-10,15,22H,5-6,11-14H2/t15-/m1/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol?
(2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol has a molecular weight of 358.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-(1,1-dioxothiazinan-2-yl)propan-2-ol is sourced from PubChem (CID 71816520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).