3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide

C9H15N3O3S2 — CID 103420203

IUPAC3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(N(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C9H15N3O3S2/c1-4-17(14,15)7-5(10)6(8(11)13)16-9(7)12(2)3/h4,10H2,1-3H3,(H2,11,13)
InChIKeyDZBIDPDVORNGCQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.29
Rot. Bonds4

About 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide

3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide (PubChem CID 103420203) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
PubChem CID103420203
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(N(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C9H15N3O3S2/c1-4-17(14,15)7-5(10)6(8(11)13)16-9(7)12(2)3/h4,10H2,1-3H3,(H2,11,13)
InChIKeyDZBIDPDVORNGCQ-UHFFFAOYSA-N
XLogP0.29
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103419200
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419848
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103420197
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422827
3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509742
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
CID 103526669
ethyl 4-amino-5-carbamoyl-2-[methyl(2-methylpropyl)amino]thiophene-3-carboxylate
CID 103421193

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide (CID 103420203) is 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide is CCS(=O)(=O)c1c(N(C)C)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
The InChIKey is DZBIDPDVORNGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-4-17(14,15)7-5(10)6(8(11)13)16-9(7)12(2)3/h4,10H2,1-3H3,(H2,11,13).
What are the key properties of 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103420203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).