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

C10H16N2O3S2 — CID 103424424

IUPAC1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
SMILESCCNc1sc(C(=O)CC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S2/c1-4-6(13)8-7(11)9(17(3,14)15)10(16-8)12-5-2/h12H,4-5,11H2,1-3H3
InChIKeyCHUCVRCSKSBQAS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

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

1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one (PubChem CID 103424424) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
PubChem CID103424424
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
SMILESCCNc1sc(C(=O)CC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S2/c1-4-6(13)8-7(11)9(17(3,14)15)10(16-8)12-5-2/h12H,4-5,11H2,1-3H3
InChIKeyCHUCVRCSKSBQAS-UHFFFAOYSA-N
XLogP1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103424444
1-[3-amino-5-(butylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103425192
1-[3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424294
1-[3-amino-4-methylsulfonyl-5-(piperidin-4-ylamino)thiophen-2-yl]propan-1-one
CID 103525531
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
1-[3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103505677
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103506973
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one (CID 103424424) is 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one is CCNc1sc(C(=O)CC)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one?
The InChIKey is CHUCVRCSKSBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-4-6(13)8-7(11)9(17(3,14)15)10(16-8)12-5-2/h12H,4-5,11H2,1-3H3.
What are the key properties of 1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one?
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.76, 5 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-methylsulfonylthiophen-2-yl]propan-1-one is sourced from PubChem (CID 103424424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).