2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane

C15H27N3O5S2 — CID 143790283

IUPAC2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane
SMILESCC.CC.CS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)CCCC2C(N)=O
InChIInChI=1S/C11H15N3O5S2.2C2H6/c1-20(16,17)10-7-5-3-4-6(9(12)15)8(7)13-11(14-10)21(2,18)19;2*1-2/h6H,3-5H2,1-2H3,(H2,12,15);2*1-2H3
InChIKeyBKQOQPGXLNEURJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.24
Rot. Bonds3

About 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane

2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane (PubChem CID 143790283) has the molecular formula C15H27N3O5S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane.

Molecular Properties

Compound Name2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane
PubChem CID143790283
Molecular FormulaC15H27N3O5S2
Molecular Weight393.53 g/mol
Exact Mass393.14
IUPAC Name2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane
SMILESCC.CC.CS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)CCCC2C(N)=O
InChIInChI=1S/C11H15N3O5S2.2C2H6/c1-20(16,17)10-7-5-3-4-6(9(12)15)8(7)13-11(14-10)21(2,18)19;2*1-2/h6H,3-5H2,1-2H3,(H2,12,15);2*1-2H3
InChIKeyBKQOQPGXLNEURJ-UHFFFAOYSA-N
XLogP1.24
TPSA137.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline
CID 10891592
2-(2-Methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
CID 67239359
2,4-Bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide
CID 68858152
2,4-Bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide
CID 68859715
2,4-bis(methylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-9-carboxamide
CID 71019117
2,4-bis(methylsulfonyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-9-carboxamide
CID 143790160
2,4-Bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane;methanamine
CID 143790294
2,4-Bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane
CID 143790295
4-Methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 83856392
6-Methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 83919478

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane?
The IUPAC name of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane (CID 143790283) is 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane.
What is the SMILES notation for 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane?
The canonical SMILES for 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane is CC.CC.CS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)CCCC2C(N)=O.
What is the InChIKey of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane?
The InChIKey is BKQOQPGXLNEURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S2.2C2H6/c1-20(16,17)10-7-5-3-4-6(9(12)15)8(7)13-11(14-10)21(2,18)19;2*1-2/h6H,3-5H2,1-2H3,(H2,12,15);2*1-2H3.
What are the key properties of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane?
2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane has a molecular weight of 393.53 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane is sourced from PubChem (CID 143790283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).