1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one

C12H18ClNO2S — CID 46232018

IUPAC1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S/c1-9(2)14(7-8-15)6-5-10(16)11-3-4-12(13)17-11/h3-4,9,15H,5-8H2,1-2H3
InChIKeyADCVOISDSRYKES-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.68
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one (PubChem CID 46232018) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
PubChem CID46232018
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S/c1-9(2)14(7-8-15)6-5-10(16)11-3-4-12(13)17-11/h3-4,9,15H,5-8H2,1-2H3
InChIKeyADCVOISDSRYKES-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
CID 116581530
1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481222
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one (CID 46232018) is 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one is CC(C)N(CCO)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is ADCVOISDSRYKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-9(2)14(7-8-15)6-5-10(16)11-3-4-12(13)17-11/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one has a molecular weight of 275.80 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 46232018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).