N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C14H20N2O2S — CID 66421859

IUPACN-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CC1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-16(9-11-2-4-13(17)5-3-11)14(18)8-12-10-19-7-6-15-12/h2-5,12,15,17H,6-10H2,1H3
InChIKeyMKECPVMTIZEPQE-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.45
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66421859) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66421859
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CC1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-16(9-11-2-4-13(17)5-3-11)14(18)8-12-10-19-7-6-15-12/h2-5,12,15,17H,6-10H2,1H3
InChIKeyMKECPVMTIZEPQE-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 80516039
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66421859) is N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is CN(Cc1ccc(O)cc1)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is MKECPVMTIZEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(9-11-2-4-13(17)5-3-11)14(18)8-12-10-19-7-6-15-12/h2-5,12,15,17H,6-10H2,1H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).