methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate

C10H15NO4S2 — CID 2819475

IUPACmethyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(S(=O)(=O)C(C)(C)C)c1N
InChIInChI=1S/C10H15NO4S2/c1-10(2,3)17(13,14)6-5-16-8(7(6)11)9(12)15-4/h5H,11H2,1-4H3
InChIKeyBWGFQBTYIMTGIW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds2

About methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate

methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate (PubChem CID 2819475) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate
PubChem CID2819475
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Namemethyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(S(=O)(=O)C(C)(C)C)c1N
InChIInChI=1S/C10H15NO4S2/c1-10(2,3)17(13,14)6-5-16-8(7(6)11)9(12)15-4/h5H,11H2,1-4H3
InChIKeyBWGFQBTYIMTGIW-UHFFFAOYSA-N
XLogP1.69
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate (CID 2819475) is methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate is COC(=O)c1scc(S(=O)(=O)C(C)(C)C)c1N.
What is the InChIKey of methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate?
The InChIKey is BWGFQBTYIMTGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-10(2,3)17(13,14)6-5-16-8(7(6)11)9(12)15-4/h5H,11H2,1-4H3.
What are the key properties of methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate?
methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-tert-butylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 2819475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).