(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone

C19H21NOS — CID 24725405

IUPAC(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCc1ccccc1C(=O)c1ccccc1CN1CCSCC1
InChIInChI=1S/C19H21NOS/c1-15-6-2-4-8-17(15)19(21)18-9-5-3-7-16(18)14-20-10-12-22-13-11-20/h2-9H,10-14H2,1H3
InChIKeyITYXTWGNQCPSFQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.77
Rot. Bonds4

About (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone

(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24725405) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24725405
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCc1ccccc1C(=O)c1ccccc1CN1CCSCC1
InChIInChI=1S/C19H21NOS/c1-15-6-2-4-8-17(15)19(21)18-9-5-3-7-16(18)14-20-10-12-22-13-11-20/h2-9H,10-14H2,1H3
InChIKeyITYXTWGNQCPSFQ-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725410
cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725453
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
3-methyl-4-(thiomorpholin-4-ylmethyl)phenol
CID 102413920
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24725405) is (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone is Cc1ccccc1C(=O)c1ccccc1CN1CCSCC1.
What is the InChIKey of (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is ITYXTWGNQCPSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-15-6-2-4-8-17(15)19(21)18-9-5-3-7-16(18)14-20-10-12-22-13-11-20/h2-9H,10-14H2,1H3.
What are the key properties of (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 311.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).