(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone

C19H21NOS — CID 24724955

IUPAC(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2cccc(CN3CCSCC3)c2)c1
InChIInChI=1S/C19H21NOS/c1-15-4-2-6-17(12-15)19(21)18-7-3-5-16(13-18)14-20-8-10-22-11-9-20/h2-7,12-13H,8-11,14H2,1H3
InChIKeyDLVRSJNMKNHTLH-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.77
Rot. Bonds4

About (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone

(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724955) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724955
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2cccc(CN3CCSCC3)c2)c1
InChIInChI=1S/C19H21NOS/c1-15-4-2-6-17(12-15)19(21)18-7-3-5-16(13-18)14-20-8-10-22-11-9-20/h2-7,12-13H,8-11,14H2,1H3
InChIKeyDLVRSJNMKNHTLH-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

(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724523
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725004
(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724922
bis(3-methylphenyl)methanone
CID 17848
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24724955) is (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone is Cc1cccc(C(=O)c2cccc(CN3CCSCC3)c2)c1.
What is the InChIKey of (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is DLVRSJNMKNHTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-15-4-2-6-17(12-15)19(21)18-7-3-5-16(13-18)14-20-8-10-22-11-9-20/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
(3-methylphenyl)-[3-(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 (3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).