1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one

C9H12ClNOS — CID 15015337

IUPAC1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-11(2)6-5-7(12)8-3-4-9(10)13-8/h3-4H,5-6H2,1-2H3
InChIKeyFDXUTLLPABCCTH-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.54
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one

1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one (PubChem CID 15015337) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one
PubChem CID15015337
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-11(2)6-5-7(12)8-3-4-9(10)13-8/h3-4H,5-6H2,1-2H3
InChIKeyFDXUTLLPABCCTH-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylamino)-1-(2-thienyl)-1-propanone
CID 408257
1-(5-Chlorothiophen-2-yl)-3-(dimethylamino)but-2-en-1-one
CID 6346606
3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
CID 2876891
(2E)-1-(5-chlorothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
CID 5399146
1-(3-Chloro-2-thienyl)-3-(dimethylamino)-2-propen-1-one
CID 1487260
1-(5-Chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018
3-[Bis(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46232019
1-(5-Chlorothiophen-2-yl)propan-1-one
CID 255128
1-(5-Chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone
CID 2422824
1-(5-Chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethan-1-one
CID 4014587
1-(5-Chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethan-1-one
CID 5095120
1-(5-Chloro-2-thienyl)-2-(methylamino)-1-propanone
CID 82282703

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one (CID 15015337) is 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one?
The InChIKey is FDXUTLLPABCCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-11(2)6-5-7(12)8-3-4-9(10)13-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one?
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one has a molecular weight of 217.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 15015337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).