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

C11H14ClNOS — CID 60984356

IUPAC1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Cl)s1)CC1CC1
InChIInChI=1S/C11H14ClNOS/c1-13(6-8-2-3-8)7-9(14)10-4-5-11(12)15-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJWLMOEXBZMCCHK-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.93
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone (PubChem CID 60984356) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
PubChem CID60984356
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Cl)s1)CC1CC1
InChIInChI=1S/C11H14ClNOS/c1-13(6-8-2-3-8)7-9(14)10-4-5-11(12)15-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJWLMOEXBZMCCHK-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661989
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62051633
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
CID 54999654
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone (CID 60984356) is 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone is CN(CC(=O)c1ccc(Cl)s1)CC1CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The InChIKey is JWLMOEXBZMCCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-13(6-8-2-3-8)7-9(14)10-4-5-11(12)15-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone has a molecular weight of 243.76 g/mol, XLogP of 2.93, 5 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-[cyclopropylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 60984356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).