5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide

C12H18N2O4S2 — CID 56782886

IUPAC5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)o1
InChIInChI=1S/C12H18N2O4S2/c1-10-2-3-11(18-10)12(15)13-4-9-20(16,17)14-5-7-19-8-6-14/h2-3H,4-9H2,1H3,(H,13,15)
InChIKeyBQHKSIXJEISUBX-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.70
Rot. Bonds5

About 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide

5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide (PubChem CID 56782886) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide
PubChem CID56782886
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)o1
InChIInChI=1S/C12H18N2O4S2/c1-10-2-3-11(18-10)12(15)13-4-9-20(16,17)14-5-7-19-8-6-14/h2-3H,4-9H2,1H3,(H,13,15)
InChIKeyBQHKSIXJEISUBX-UHFFFAOYSA-N
XLogP0.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide (CID 56782886) is 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide is Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)o1.
What is the InChIKey of 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide?
The InChIKey is BQHKSIXJEISUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-10-2-3-11(18-10)12(15)13-4-9-20(16,17)14-5-7-19-8-6-14/h2-3H,4-9H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide?
5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide is sourced from PubChem (CID 56782886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).