1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone

C10H14ClNOS — CID 94261007

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
SMILESCC(C)CNCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)5-12-6-8(13)9-3-4-10(11)14-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyRIGQZXFTRHBHMZ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.83
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone

1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone (PubChem CID 94261007) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
PubChem CID94261007
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
SMILESCC(C)CNCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)5-12-6-8(13)9-3-4-10(11)14-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyRIGQZXFTRHBHMZ-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
CID 82475711
1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 94257066
[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
CID 89478549
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
2-anilino-1-(5-chlorothiophen-2-yl)ethanone
CID 82119570
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767899
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone (CID 94261007) is 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone is CC(C)CNCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone?
The InChIKey is RIGQZXFTRHBHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-7(2)5-12-6-8(13)9-3-4-10(11)14-9/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone has a molecular weight of 231.75 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone is sourced from PubChem (CID 94261007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).