N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

C14H19BrN2OS — CID 146134018

IUPACN-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(Br)cc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C14H19BrN2OS/c1-10-2-3-12(15)6-11(10)8-17-14(18)7-13-9-19-5-4-16-13/h2-3,6,13,16H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyQNWAQDDRGDOTEN-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.47
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 146134018) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID146134018
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(Br)cc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C14H19BrN2OS/c1-10-2-3-12(15)6-11(10)8-17-14(18)7-13-9-19-5-4-16-13/h2-3,6,13,16H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyQNWAQDDRGDOTEN-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937188
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940162
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 146134018) is N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1ccc(Br)cc1CNC(=O)CC1CSCCN1.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QNWAQDDRGDOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-10-2-3-12(15)6-11(10)8-17-14(18)7-13-9-19-5-4-16-13/h2-3,6,13,16H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 343.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 146134018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).