methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate

C9H14N2O4S2 — CID 103420197

IUPACmethyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C9H14N2O4S2/c1-11(2)8-7(17(4,13)14)5(10)6(16-8)9(12)15-3/h10H2,1-4H3
InChIKeyMKFMZYAXRVTINW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.59
Rot. Bonds3

About methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate

methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate (PubChem CID 103420197) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
PubChem CID103420197
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Namemethyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C9H14N2O4S2/c1-11(2)8-7(17(4,13)14)5(10)6(16-8)9(12)15-3/h10H2,1-4H3
InChIKeyMKFMZYAXRVTINW-UHFFFAOYSA-N
XLogP0.59
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103420209
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103420203
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526538
methyl 3-amino-5-(4-aminopiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525627
methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate
CID 103420280
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942
3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103417812

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate (CID 103420197) is methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate is COC(=O)c1sc(N(C)C)c(S(C)(=O)=O)c1N.
What is the InChIKey of methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate?
The InChIKey is MKFMZYAXRVTINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-11(2)8-7(17(4,13)14)5(10)6(16-8)9(12)15-3/h10H2,1-4H3.
What are the key properties of methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate?
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 103420197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).