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

C11H19N3OS — CID 103426166

IUPAC1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCCN(C)C)cc1N
InChIInChI=1S/C11H19N3OS/c1-8(15)11-9(12)7-10(16-11)13-5-4-6-14(2)3/h7,13H,4-6,12H2,1-3H3
InChIKeyQOHUSXUMGNADGS-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds6

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

1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone (PubChem CID 103426166) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
PubChem CID103426166
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCCN(C)C)cc1N
InChIInChI=1S/C11H19N3OS/c1-8(15)11-9(12)7-10(16-11)13-5-4-6-14(2)3/h7,13H,4-6,12H2,1-3H3
InChIKeyQOHUSXUMGNADGS-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802
1-[2-amino-4-[3-(dimethylamino)propylamino]phenyl]ethanone
CID 104528251
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
1-[3-amino-5-[(1-ethylcyclobutyl)methylamino]thiophen-2-yl]ethanone
CID 114110179

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone (CID 103426166) is 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone is CC(=O)c1sc(NCCCN(C)C)cc1N.
What is the InChIKey of 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone?
The InChIKey is QOHUSXUMGNADGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(15)11-9(12)7-10(16-11)13-5-4-6-14(2)3/h7,13H,4-6,12H2,1-3H3.
What are the key properties of 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone?
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone has a molecular weight of 241.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103426166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).