1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one

C12H18ClNOS — CID 112510682

IUPAC1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)CC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNOS/c1-4-14(5-2)8-9(3)12(15)10-6-7-11(13)16-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeySJMNCJTXUBWDTE-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.56
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one

1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one (PubChem CID 112510682) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
PubChem CID112510682
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)CC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNOS/c1-4-14(5-2)8-9(3)12(15)10-6-7-11(13)16-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeySJMNCJTXUBWDTE-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 104556229
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one (CID 112510682) is 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one is CCN(CC)CC(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one?
The InChIKey is SJMNCJTXUBWDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-4-14(5-2)8-9(3)12(15)10-6-7-11(13)16-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one?
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one has a molecular weight of 259.80 g/mol, XLogP of 3.56, 6 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-(diethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 112510682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).