methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate

C8H11NO4S2 — CID 586788

IUPACmethyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1N(C)S(C)(=O)=O
InChIInChI=1S/C8H11NO4S2/c1-9(15(3,11)12)6-4-5-14-7(6)8(10)13-2/h4-5H,1-3H3
InChIKeyMWXBRPOFTYRRLS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds3

About methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate

methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate (PubChem CID 586788) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate
PubChem CID586788
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Namemethyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1N(C)S(C)(=O)=O
InChIInChI=1S/C8H11NO4S2/c1-9(15(3,11)12)6-4-5-14-7(6)8(10)13-2/h4-5H,1-3H3
InChIKeyMWXBRPOFTYRRLS-UHFFFAOYSA-N
XLogP0.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate (CID 586788) is methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1N(C)S(C)(=O)=O.
What is the InChIKey of methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate?
The InChIKey is MWXBRPOFTYRRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-9(15(3,11)12)6-4-5-14-7(6)8(10)13-2/h4-5H,1-3H3.
What are the key properties of methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate?
methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(methylsulfonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 586788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).