1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one

C12H24N2O2S — CID 45224386

IUPAC1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCOC(CCN(C)C)C1
InChIInChI=1S/C12H24N2O2S/c1-13(2)6-4-11-10-14(7-8-16-11)12(15)5-9-17-3/h11H,4-10H2,1-3H3
InChIKeyXLGXDCGNYLFCSB-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.92
Rot. Bonds6

About 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one

1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one (PubChem CID 45224386) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one
PubChem CID45224386
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCOC(CCN(C)C)C1
InChIInChI=1S/C12H24N2O2S/c1-13(2)6-4-11-10-14(7-8-16-11)12(15)5-9-17-3/h11H,4-10H2,1-3H3
InChIKeyXLGXDCGNYLFCSB-UHFFFAOYSA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-Dimethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819888
N-methyl-2-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-ylpropanamide
CID 84592447
1-[2-(Fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
CID 126794051
2-[2-(Dimethylamino)ethylsulfanyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone
CID 167803951
1-(2-Ethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819811
3-Butylsulfanyl-2-methyl-1-morpholin-4-ylpropan-1-one
CID 23534468
1-Morpholin-4-yl-3-propan-2-ylsulfanylpropan-1-one
CID 53983185
(2-Propan-2-ylmorpholin-4-yl)-(thietan-3-yl)methanone
CID 58469011
4-Tert-butylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 59176720
CID 59324965
CID 59324965
3-Methylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 60635837
(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide
CID 67949341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one (CID 45224386) is 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CCOC(CCN(C)C)C1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is XLGXDCGNYLFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13(2)6-4-11-10-14(7-8-16-11)12(15)5-9-17-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one?
1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 260.40 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 45224386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).