2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide

C16H24N4O2S — CID 146139791

IUPAC2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCN1Cc2ncccc2N2CCC[C@H]2C1
InChIInChI=1S/C16H24N4O2S/c21-23(22)11-3-7-19(23)10-9-18-12-14-4-2-8-20(14)16-5-1-6-17-15(16)13-18/h1,5-6,14H,2-4,7-13H2/t14-/m0/s1
InChIKeyLKOHFJNURCRFNC-AWEZNQCLSA-N
MW336.46 g/mol
LogP0.90
Rot. Bonds3

About 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 146139791) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID146139791
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCN1Cc2ncccc2N2CCC[C@H]2C1
InChIInChI=1S/C16H24N4O2S/c21-23(22)11-3-7-19(23)10-9-18-12-14-4-2-8-20(14)16-5-1-6-17-15(16)13-18/h1,5-6,14H,2-4,7-13H2/t14-/m0/s1
InChIKeyLKOHFJNURCRFNC-AWEZNQCLSA-N
XLogP0.90
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide (CID 146139791) is 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CCN1Cc2ncccc2N2CCC[C@H]2C1.
What is the InChIKey of 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LKOHFJNURCRFNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-23(22)11-3-7-19(23)10-9-18-12-14-4-2-8-20(14)16-5-1-6-17-15(16)13-18/h1,5-6,14H,2-4,7-13H2/t14-/m0/s1.
What are the key properties of 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 336.46 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 146139791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).