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

C10H14ClNOS2 — CID 112661989

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS2/c1-12(5-6-14-2)7-8(13)9-3-4-10(11)15-9/h3-4H,5-7H2,1-2H3
InChIKeyXTCLVWYIURSOQP-UHFFFAOYSA-N
MW263.81 g/mol
LogP2.88
Rot. Bonds6

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

1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (PubChem CID 112661989) has the molecular formula C10H14ClNOS2 and a molecular weight of 263.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
PubChem CID112661989
Molecular FormulaC10H14ClNOS2
Molecular Weight263.81 g/mol
Exact Mass263.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS2/c1-12(5-6-14-2)7-8(13)9-3-4-10(11)15-9/h3-4H,5-7H2,1-2H3
InChIKeyXTCLVWYIURSOQP-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
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-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 55010591
1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 62029604
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N'-formyl-N-methyloxamide
CID 135136349

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (CID 112661989) is 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is CSCCN(C)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The InChIKey is XTCLVWYIURSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS2/c1-12(5-6-14-2)7-8(13)9-3-4-10(11)15-9/h3-4H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone has a molecular weight of 263.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is sourced from PubChem (CID 112661989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).