oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate

C12H17NO6S — CID 65380892

IUPACoxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate
SMILESCc1oc(C(=O)OCC2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H17NO6S/c1-8-11(20(13,15)16)6-10(19-8)12(14)18-7-9-2-4-17-5-3-9/h6,9H,2-5,7H2,1H3,(H2,13,15,16)
InChIKeyDSPVYBYEERYLRB-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.82
Rot. Bonds4

About oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate

oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate (PubChem CID 65380892) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate
PubChem CID65380892
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Nameoxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate
SMILESCc1oc(C(=O)OCC2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H17NO6S/c1-8-11(20(13,15)16)6-10(19-8)12(14)18-7-9-2-4-17-5-3-9/h6,9H,2-5,7H2,1H3,(H2,13,15,16)
InChIKeyDSPVYBYEERYLRB-UHFFFAOYSA-N
XLogP0.82
TPSA108.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexylmethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65374723
5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 65387146
tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65382030
(4,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 114342786
(3,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65380307
oxan-4-yl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65374325
N-(cyclopropylmethyl)-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65386276
N-cyclopropyl-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65374093
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
CID 115612472
cyclopropylmethyl 4-methyl-3-nitro-5-sulfamoylbenzoate
CID 65381431

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
The IUPAC name of oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate (CID 65380892) is oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
The canonical SMILES for oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate is Cc1oc(C(=O)OCC2CCOCC2)cc1S(N)(=O)=O.
What is the InChIKey of oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
The InChIKey is DSPVYBYEERYLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8-11(20(13,15)16)6-10(19-8)12(14)18-7-9-2-4-17-5-3-9/h6,9H,2-5,7H2,1H3,(H2,13,15,16).
What are the key properties of oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 5-methyl-4-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 65380892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).