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

C10H14N2O4S2 — CID 10891592

IUPAC2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline
SMILESCS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)CCCC2
InChIInChI=1S/C10H14N2O4S2/c1-17(13,14)9-7-5-3-4-6-8(7)11-10(12-9)18(2,15)16/h3-6H2,1-2H3
InChIKeyDPXMBZGETHTTKD-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.16
Rot. Bonds2

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

2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 10891592) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID10891592
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline
SMILESCS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)CCCC2
InChIInChI=1S/C10H14N2O4S2/c1-17(13,14)9-7-5-3-4-6-8(7)11-10(12-9)18(2,15)16/h3-6H2,1-2H3
InChIKeyDPXMBZGETHTTKD-UHFFFAOYSA-N
XLogP0.16
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline (CID 10891592) is 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline is CS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)CCCC2.
What is the InChIKey of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is DPXMBZGETHTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-17(13,14)9-7-5-3-4-6-8(7)11-10(12-9)18(2,15)16/h3-6H2,1-2H3.
What are the key properties of 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline?
2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 290.37 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfonyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 10891592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).