1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one

C13H21N3O2S — CID 103506797

IUPAC1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCC2CN(C)CCO2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-3-11(17)13-10(14)6-12(19-13)15-7-9-8-16(2)4-5-18-9/h6,9,15H,3-5,7-8,14H2,1-2H3
InChIKeyLWGXYBWRMYNMGU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.67
Rot. Bonds5

About 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one

1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one (PubChem CID 103506797) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one
PubChem CID103506797
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCC2CN(C)CCO2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-3-11(17)13-10(14)6-12(19-13)15-7-9-8-16(2)4-5-18-9/h6,9,15H,3-5,7-8,14H2,1-2H3
InChIKeyLWGXYBWRMYNMGU-UHFFFAOYSA-N
XLogP1.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
ethyl 3-amino-4-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79072138
1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508679
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576501
methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 78952494
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
4-bromo-5-fluoro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,2-diamine
CID 79083379

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one (CID 103506797) is 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NCC2CN(C)CCO2)cc1N.
What is the InChIKey of 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one?
The InChIKey is LWGXYBWRMYNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-11(17)13-10(14)6-12(19-13)15-7-9-8-16(2)4-5-18-9/h6,9,15H,3-5,7-8,14H2,1-2H3.
What are the key properties of 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one?
1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one has a molecular weight of 283.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103506797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).