1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone

C9H13NO3S3 — CID 103526669

IUPAC1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
SMILESCCS(=O)(=O)c1c(SC)sc(C(C)=O)c1N
InChIInChI=1S/C9H13NO3S3/c1-4-16(12,13)8-6(10)7(5(2)11)15-9(8)14-3/h4,10H2,1-3H3
InChIKeyUAKLIFFTYKPZRZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.05
Rot. Bonds4

About 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone

1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone (PubChem CID 103526669) has the molecular formula C9H13NO3S3 and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
PubChem CID103526669
Molecular FormulaC9H13NO3S3
Molecular Weight279.41 g/mol
Exact Mass279.01
IUPAC Name1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
SMILESCCS(=O)(=O)c1c(SC)sc(C(C)=O)c1N
InChIInChI=1S/C9H13NO3S3/c1-4-16(12,13)8-6(10)7(5(2)11)15-9(8)14-3/h4,10H2,1-3H3
InChIKeyUAKLIFFTYKPZRZ-UHFFFAOYSA-N
XLogP2.05
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526645
3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
CID 103526684
3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526630
1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103419200
3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526743
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
CID 103526621
1-[3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 106674970
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
1-[3-amino-5-(4-aminopiperidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103525607
1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103427331
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103420203

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone (CID 103526669) is 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone is CCS(=O)(=O)c1c(SC)sc(C(C)=O)c1N.
What is the InChIKey of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone?
The InChIKey is UAKLIFFTYKPZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S3/c1-4-16(12,13)8-6(10)7(5(2)11)15-9(8)14-3/h4,10H2,1-3H3.
What are the key properties of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone?
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone has a molecular weight of 279.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone is sourced from PubChem (CID 103526669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).