4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine

C13H16N4O2S2 — CID 66382775

IUPAC4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
SMILESCS(=O)(=O)C1CSCCN1c1ncnc2ccc(N)cc12
InChIInChI=1S/C13H16N4O2S2/c1-21(18,19)12-7-20-5-4-17(12)13-10-6-9(14)2-3-11(10)15-8-16-13/h2-3,6,8,12H,4-5,7,14H2,1H3
InChIKeyNJQGCDAOLOAZJD-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.14
Rot. Bonds2

About 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine

4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine (PubChem CID 66382775) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine.

Molecular Properties

Compound Name4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
PubChem CID66382775
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
SMILESCS(=O)(=O)C1CSCCN1c1ncnc2ccc(N)cc12
InChIInChI=1S/C13H16N4O2S2/c1-21(18,19)12-7-20-5-4-17(12)13-10-6-9(14)2-3-11(10)15-8-16-13/h2-3,6,8,12H,4-5,7,14H2,1H3
InChIKeyNJQGCDAOLOAZJD-UHFFFAOYSA-N
XLogP1.14
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
4-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66382315
5-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzonitrile
CID 66382393
[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80925707
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 104506988
4-(2-chloro-4-pyridinyl)-3-methylsulfonylthiomorpholine
CID 102824290
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80851039
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 113315817

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine?
The IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine (CID 66382775) is 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine.
What is the SMILES notation for 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine?
The canonical SMILES for 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine is CS(=O)(=O)C1CSCCN1c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine?
The InChIKey is NJQGCDAOLOAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-21(18,19)12-7-20-5-4-17(12)13-10-6-9(14)2-3-11(10)15-8-16-13/h2-3,6,8,12H,4-5,7,14H2,1H3.
What are the key properties of 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine?
4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine has a molecular weight of 324.43 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine is sourced from PubChem (CID 66382775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).