6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C11H13F3N2O2S — CID 3245844

IUPAC6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESCC1CCc2nc(S(C)(=O)=O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N2O2S/c1-6-3-4-8-7(5-6)9(11(12,13)14)16-10(15-8)19(2,17)18/h6H,3-5H2,1-2H3
InChIKeyVNTYXWFNWCVASY-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.02
Rot. Bonds1

About 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 3245844) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID3245844
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESCC1CCc2nc(S(C)(=O)=O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N2O2S/c1-6-3-4-8-7(5-6)9(11(12,13)14)16-10(15-8)19(2,17)18/h6H,3-5H2,1-2H3
InChIKeyVNTYXWFNWCVASY-UHFFFAOYSA-N
XLogP2.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 3245844) is 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is CC1CCc2nc(S(C)(=O)=O)nc(C(F)(F)F)c2C1.
What is the InChIKey of 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is VNTYXWFNWCVASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-6-3-4-8-7(5-6)9(11(12,13)14)16-10(15-8)19(2,17)18/h6H,3-5H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 294.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 3245844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).