1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone

C10H14ClNOS — CID 43228210

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)12(3)6-8(13)9-4-5-10(11)14-9/h4-5,7H,6H2,1-3H3
InChIKeyDIFFASCFQMABJZ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.92
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone

1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 43228210) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID43228210
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)12(3)6-8(13)9-4-5-10(11)14-9/h4-5,7H,6H2,1-3H3
InChIKeyDIFFASCFQMABJZ-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 55010591
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661989
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62051633
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
CID 94261007

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone (CID 43228210) is 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is DIFFASCFQMABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-7(2)12(3)6-8(13)9-4-5-10(11)14-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 231.75 g/mol, XLogP of 2.92, 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)-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 43228210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).