5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid

C10H13NO5S2 — CID 62803789

IUPAC5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H13NO5S2/c1-7-9(6-8(16-7)10(12)13)18(14,15)11-2-4-17-5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyOBYUAMLFBCLBMM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.02
Rot. Bonds3

About 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid

5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid (PubChem CID 62803789) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
PubChem CID62803789
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H13NO5S2/c1-7-9(6-8(16-7)10(12)13)18(14,15)11-2-4-17-5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyOBYUAMLFBCLBMM-UHFFFAOYSA-N
XLogP1.02
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
5-chloro-2-methyl-3-thiomorpholin-4-ylsulfonylbenzoic acid
CID 82883111
2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119954814
4-amino-2-thiomorpholin-4-ylsulfonylbenzoic acid
CID 102930859
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256576

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid (CID 62803789) is 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid?
The InChIKey is OBYUAMLFBCLBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-7-9(6-8(16-7)10(12)13)18(14,15)11-2-4-17-5-3-11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid?
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 62803789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).