5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine

C15H18N4O2S2 — CID 53490783

IUPAC5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCc1cccc(S(=O)(=O)c2cnc(N3CCSCC3)nc2N)c1
InChIInChI=1S/C15H18N4O2S2/c1-11-3-2-4-12(9-11)23(20,21)13-10-17-15(18-14(13)16)19-5-7-22-8-6-19/h2-4,9-10H,5-8H2,1H3,(H2,16,17,18)
InChIKeyUNARXXHZQQJPDJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.75
Rot. Bonds3

About 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine

5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 53490783) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID53490783
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCc1cccc(S(=O)(=O)c2cnc(N3CCSCC3)nc2N)c1
InChIInChI=1S/C15H18N4O2S2/c1-11-3-2-4-12(9-11)23(20,21)13-10-17-15(18-14(13)16)19-5-7-22-8-6-19/h2-4,9-10H,5-8H2,1H3,(H2,16,17,18)
InChIKeyUNARXXHZQQJPDJ-UHFFFAOYSA-N
XLogP1.75
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-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 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine (CID 53490783) is 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine is Cc1cccc(S(=O)(=O)c2cnc(N3CCSCC3)nc2N)c1.
What is the InChIKey of 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is UNARXXHZQQJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-11-3-2-4-12(9-11)23(20,21)13-10-17-15(18-14(13)16)19-5-7-22-8-6-19/h2-4,9-10H,5-8H2,1H3,(H2,16,17,18).
What are the key properties of 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine?
5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 53490783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).