N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine

C15H25N3O2S — CID 81424874

IUPACN-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
SMILESCc1nc(CS(C)(=O)=O)nc2c1CC(CNC(C)C)CC2
InChIInChI=1S/C15H25N3O2S/c1-10(2)16-8-12-5-6-14-13(7-12)11(3)17-15(18-14)9-21(4,19)20/h10,12,16H,5-9H2,1-4H3
InChIKeyAOGNRAJRJFMAQD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.43
Rot. Bonds5

About N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine

N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine (PubChem CID 81424874) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
PubChem CID81424874
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
SMILESCc1nc(CS(C)(=O)=O)nc2c1CC(CNC(C)C)CC2
InChIInChI=1S/C15H25N3O2S/c1-10(2)16-8-12-5-6-14-13(7-12)11(3)17-15(18-14)9-21(4,19)20/h10,12,16H,5-9H2,1-4H3
InChIKeyAOGNRAJRJFMAQD-UHFFFAOYSA-N
XLogP1.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine (CID 81424874) is N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine is Cc1nc(CS(C)(=O)=O)nc2c1CC(CNC(C)C)CC2.
What is the InChIKey of N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
The InChIKey is AOGNRAJRJFMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(2)16-8-12-5-6-14-13(7-12)11(3)17-15(18-14)9-21(4,19)20/h10,12,16H,5-9H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine has a molecular weight of 311.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine is sourced from PubChem (CID 81424874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).