1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one

C11H18N2O3S2 — CID 103424444

IUPAC1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
SMILESCCNc1sc(C(=O)CC)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C11H18N2O3S2/c1-4-7(14)9-8(12)10(18(15,16)6-3)11(17-9)13-5-2/h13H,4-6,12H2,1-3H3
InChIKeyROGAFHJNARWCOT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds6

About 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one

1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one (PubChem CID 103424444) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
PubChem CID103424444
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
SMILESCCNc1sc(C(=O)CC)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C11H18N2O3S2/c1-4-7(14)9-8(12)10(18(15,16)6-3)11(17-9)13-5-2/h13H,4-6,12H2,1-3H3
InChIKeyROGAFHJNARWCOT-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one (CID 103424444) is 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one is CCNc1sc(C(=O)CC)c(N)c1S(=O)(=O)CC.
What is the InChIKey of 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one?
The InChIKey is ROGAFHJNARWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-4-7(14)9-8(12)10(18(15,16)6-3)11(17-9)13-5-2/h13H,4-6,12H2,1-3H3.
What are the key properties of 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one?
1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one is sourced from PubChem (CID 103424444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).