1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone

C12H21N3O3S2 — CID 103506973

IUPAC1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCC(C)N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S2/c1-7(15(3)4)6-14-12-11(20(5,17)18)9(13)10(19-12)8(2)16/h7,14H,6,13H2,1-5H3
InChIKeySLQLXOVFBSYKML-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.30
Rot. Bonds6

About 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone

1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone (PubChem CID 103506973) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
PubChem CID103506973
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCC(C)N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S2/c1-7(15(3)4)6-14-12-11(20(5,17)18)9(13)10(19-12)8(2)16/h7,14H,6,13H2,1-5H3
InChIKeySLQLXOVFBSYKML-UHFFFAOYSA-N
XLogP1.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone (CID 103506973) is 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone is CC(=O)c1sc(NCC(C)N(C)C)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone?
The InChIKey is SLQLXOVFBSYKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-7(15(3)4)6-14-12-11(20(5,17)18)9(13)10(19-12)8(2)16/h7,14H,6,13H2,1-5H3.
What are the key properties of 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone?
1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone has a molecular weight of 319.45 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone is sourced from PubChem (CID 103506973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).