N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide

C15H22N2OS — CID 91837660

IUPACN-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCN2CCSCC2)c1
InChIInChI=1S/C15H22N2OS/c1-12-9-13(2)11-14(10-12)16-15(18)3-4-17-5-7-19-8-6-17/h9-11H,3-8H2,1-2H3,(H,16,18)
InChIKeyIOPYGPXUGVEXDD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.68
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide

N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide (PubChem CID 91837660) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
PubChem CID91837660
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCN2CCSCC2)c1
InChIInChI=1S/C15H22N2OS/c1-12-9-13(2)11-14(10-12)16-15(18)3-4-17-5-7-19-8-6-17/h9-11H,3-8H2,1-2H3,(H,16,18)
InChIKeyIOPYGPXUGVEXDD-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 771509
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N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
N-(5-amino-2-methylphenyl)-3-(1,4-thiazepan-4-yl)propanamide
CID 61418422
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
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ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 110857463
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
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3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide (CID 91837660) is N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide is Cc1cc(C)cc(NC(=O)CCN2CCSCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide?
The InChIKey is IOPYGPXUGVEXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-9-13(2)11-14(10-12)16-15(18)3-4-17-5-7-19-8-6-17/h9-11H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide?
N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 91837660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).