N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

C15H22N2OS — CID 66421258

IUPACN-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cccc(CN(C)C(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H22N2OS/c1-12-4-3-5-13(8-12)10-17(2)15(18)9-14-11-19-7-6-16-14/h3-5,8,14,16H,6-7,9-11H2,1-2H3
InChIKeyQGJJRHOOPLTDIZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66421258) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66421258
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cccc(CN(C)C(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H22N2OS/c1-12-4-3-5-13(8-12)10-17(2)15(18)9-14-11-19-7-6-16-14/h3-5,8,14,16H,6-7,9-11H2,1-2H3
InChIKeyQGJJRHOOPLTDIZ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66421258) is N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1cccc(CN(C)C(=O)CC2CSCCN2)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QGJJRHOOPLTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-4-3-5-13(8-12)10-17(2)15(18)9-14-11-19-7-6-16-14/h3-5,8,14,16H,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 278.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).