2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine

C11H20N2S — CID 18984165

IUPAC2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine
SMILESCC1(C)/C=N/CC/N=C\C(C)(C)SC1
InChIInChI=1S/C11H20N2S/c1-10(2)7-12-5-6-13-8-11(3,4)14-9-10/h7-8H,5-6,9H2,1-4H3/b12-7+,13-8-
InChIKeyAVKMRXYXANZCCC-GUFPOKFQSA-N
MW212.36 g/mol
LogP2.68
Rot. Bonds

About 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine

2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine (PubChem CID 18984165) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine.

Molecular Properties

Compound Name2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine
PubChem CID18984165
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine
SMILESCC1(C)/C=N/CC/N=C\C(C)(C)SC1
InChIInChI=1S/C11H20N2S/c1-10(2)7-12-5-6-13-8-11(3,4)14-9-10/h7-8H,5-6,9H2,1-4H3/b12-7+,13-8-
InChIKeyAVKMRXYXANZCCC-GUFPOKFQSA-N
XLogP2.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine?
The IUPAC name of 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine (CID 18984165) is 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine.
What is the SMILES notation for 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine?
The canonical SMILES for 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine is CC1(C)/C=N/CC/N=C\C(C)(C)SC1.
What is the InChIKey of 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine?
The InChIKey is AVKMRXYXANZCCC-GUFPOKFQSA-N. The full InChI is InChI=1S/C11H20N2S/c1-10(2)7-12-5-6-13-8-11(3,4)14-9-10/h7-8H,5-6,9H2,1-4H3/b12-7+,13-8-.
What are the key properties of 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine?
2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine has a molecular weight of 212.36 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,9-tetramethyl-6,10-dihydro-5H-1,4,7-thiadiazecine is sourced from PubChem (CID 18984165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).