N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide

C15H23N3OS — CID 66420040

IUPACN-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(C)Cc1ccccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C15H23N3OS/c1-18(2)10-12-5-3-4-6-14(12)17-15(19)9-13-11-20-8-7-16-13/h3-6,13,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyIULPSRYNUZBBGF-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.78
Rot. Bonds5

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

N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66420040) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66420040
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(C)Cc1ccccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C15H23N3OS/c1-18(2)10-12-5-3-4-6-14(12)17-15(19)9-13-11-20-8-7-16-13/h3-6,13,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyIULPSRYNUZBBGF-UHFFFAOYSA-N
XLogP1.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936226
N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936955

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide (CID 66420040) is N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide is CN(C)Cc1ccccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is IULPSRYNUZBBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-18(2)10-12-5-3-4-6-14(12)17-15(19)9-13-11-20-8-7-16-13/h3-6,13,16H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 293.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).