1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone

C12H20N2O3S2 — CID 103419200

IUPAC1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
SMILESCCN(CC)c1sc(C(C)=O)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C12H20N2O3S2/c1-5-14(6-2)12-11(19(16,17)7-3)9(13)10(18-12)8(4)15/h5-7,13H2,1-4H3
InChIKeyIHFKVWKFYNGEDF-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds6

About 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone

1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone (PubChem CID 103419200) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
PubChem CID103419200
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
SMILESCCN(CC)c1sc(C(C)=O)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C12H20N2O3S2/c1-5-14(6-2)12-11(19(16,17)7-3)9(13)10(18-12)8(4)15/h5-7,13H2,1-4H3
InChIKeyIHFKVWKFYNGEDF-UHFFFAOYSA-N
XLogP2.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103420203
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
CID 103526669
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006
1-[3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 106674970
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
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
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526538

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone (CID 103419200) is 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone is CCN(CC)c1sc(C(C)=O)c(N)c1S(=O)(=O)CC.
What is the InChIKey of 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
The InChIKey is IHFKVWKFYNGEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-5-14(6-2)12-11(19(16,17)7-3)9(13)10(18-12)8(4)15/h5-7,13H2,1-4H3.
What are the key properties of 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone has a molecular weight of 304.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone is sourced from PubChem (CID 103419200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).