4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine

C9H13N3O2S — CID 83856392

IUPAC4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCS(=O)(=O)c1nc(N)nc2c1CCCC2
InChIInChI=1S/C9H13N3O2S/c1-15(13,14)8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H2,1H3,(H2,10,11,12)
InChIKeyONANTNURXDOTPN-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.34
Rot. Bonds1

About 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine

4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 83856392) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID83856392
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCS(=O)(=O)c1nc(N)nc2c1CCCC2
InChIInChI=1S/C9H13N3O2S/c1-15(13,14)8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H2,1H3,(H2,10,11,12)
InChIKeyONANTNURXDOTPN-UHFFFAOYSA-N
XLogP0.34
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 83856392) is 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine is CS(=O)(=O)c1nc(N)nc2c1CCCC2.
What is the InChIKey of 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is ONANTNURXDOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-15(13,14)8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H2,1H3,(H2,10,11,12).
What are the key properties of 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 227.29 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 83856392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).