1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone

C11H15ClO3S2 — CID 107767899

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
SMILESCC(C)CCS(=O)(=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClO3S2/c1-8(2)5-6-17(14,15)7-9(13)10-3-4-11(12)16-10/h3-4,8H,5-7H2,1-2H3
InChIKeyPIIGEZWLLBAMON-UHFFFAOYSA-N
MW294.82 g/mol
LogP3.05
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone

1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone (PubChem CID 107767899) has the molecular formula C11H15ClO3S2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
PubChem CID107767899
Molecular FormulaC11H15ClO3S2
Molecular Weight294.82 g/mol
Exact Mass294.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
SMILESCC(C)CCS(=O)(=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClO3S2/c1-8(2)5-6-17(14,15)7-9(13)10-3-4-11(12)16-10/h3-4,8H,5-7H2,1-2H3
InChIKeyPIIGEZWLLBAMON-UHFFFAOYSA-N
XLogP3.05
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767968
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
CID 94261007
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
CID 116581530
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfonylethanone
CID 64635830
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-(3-methylbutylsulfonyl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone (CID 107767899) is 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone is CC(C)CCS(=O)(=O)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone?
The InChIKey is PIIGEZWLLBAMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S2/c1-8(2)5-6-17(14,15)7-9(13)10-3-4-11(12)16-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone has a molecular weight of 294.82 g/mol, XLogP of 3.05, 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-(3-methylbutylsulfonyl)ethanone is sourced from PubChem (CID 107767899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).