1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone

C12H18ClNOS — CID 61428736

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNOS/c1-9(2)6-7-14(3)8-10(15)11-4-5-12(13)16-11/h4-5,9H,6-8H2,1-3H3
InChIKeyJLXPBDLLBYPJCF-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.56
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone

1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone (PubChem CID 61428736) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
PubChem CID61428736
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNOS/c1-9(2)6-7-14(3)8-10(15)11-4-5-12(13)16-11/h4-5,9H,6-8H2,1-3H3
InChIKeyJLXPBDLLBYPJCF-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-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61429349
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661989
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62051633
1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 55010591
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767899
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481222

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone (CID 61428736) is 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone is CC(C)CCN(C)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
The InChIKey is JLXPBDLLBYPJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-9(2)6-7-14(3)8-10(15)11-4-5-12(13)16-11/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone 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)-2-[methyl(3-methylbutyl)amino]ethanone is sourced from PubChem (CID 61428736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).