N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide

C16H23N3O2S — CID 72857348

IUPACN-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)N2CCSCC2)c1
InChIInChI=1S/C16H23N3O2S/c1-18(2)15(20)7-6-13-4-3-5-14(12-13)17-16(21)19-8-10-22-11-9-19/h3-5,12H,6-11H2,1-2H3,(H,17,21)
InChIKeyZEUOLOANZKEHFF-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.29
Rot. Bonds4

About N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide

N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide (PubChem CID 72857348) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
PubChem CID72857348
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)N2CCSCC2)c1
InChIInChI=1S/C16H23N3O2S/c1-18(2)15(20)7-6-13-4-3-5-14(12-13)17-16(21)19-8-10-22-11-9-19/h3-5,12H,6-11H2,1-2H3,(H,17,21)
InChIKeyZEUOLOANZKEHFF-UHFFFAOYSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
CID 115340755
N,N-dimethyl-3-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841512
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
CID 118762293
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-nitrobenzamide
CID 43912124
3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845719
N,N-dimethyl-3-[3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54845881
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide (CID 72857348) is N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide is CN(C)C(=O)CCc1cccc(NC(=O)N2CCSCC2)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide?
The InChIKey is ZEUOLOANZKEHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-18(2)15(20)7-6-13-4-3-5-14(12-13)17-16(21)19-8-10-22-11-9-19/h3-5,12H,6-11H2,1-2H3,(H,17,21).
What are the key properties of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide?
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 72857348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).