2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one

C14H22N2O2S — CID 115663838

IUPAC2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(CNC(C)C(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-10-8-13(12(3)19-10)9-15-11(2)14(17)16-4-6-18-7-5-16/h8,11,15H,4-7,9H2,1-3H3
InChIKeyYJJFRXCXBBMPDA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.70
Rot. Bonds4

About 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one

2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115663838) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115663838
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(CNC(C)C(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-10-8-13(12(3)19-10)9-15-11(2)14(17)16-4-6-18-7-5-16/h8,11,15H,4-7,9H2,1-3H3
InChIKeyYJJFRXCXBBMPDA-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 102837335
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 97230401
2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115595203
2-[(2-fluoro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103757269
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593
2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 112690595
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115653757

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115663838) is 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one is Cc1cc(CNC(C)C(=O)N2CCOCC2)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YJJFRXCXBBMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-8-13(12(3)19-10)9-15-11(2)14(17)16-4-6-18-7-5-16/h8,11,15H,4-7,9H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 282.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115663838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).