tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate

C10H15NO5S — CID 65382030

IUPACtert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
SMILESCc1oc(C(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C10H15NO5S/c1-6-8(17(11,13)14)5-7(15-6)9(12)16-10(2,3)4/h5H,1-4H3,(H2,11,13,14)
InChIKeyZTCZYBCTTJSWKN-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate

tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate (PubChem CID 65382030) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
PubChem CID65382030
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Nametert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
SMILESCc1oc(C(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C10H15NO5S/c1-6-8(17(11,13)14)5-7(15-6)9(12)16-10(2,3)4/h5H,1-4H3,(H2,11,13,14)
InChIKeyZTCZYBCTTJSWKN-UHFFFAOYSA-N
XLogP1.19
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
The IUPAC name of tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate (CID 65382030) is tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate is Cc1oc(C(=O)OC(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
The InChIKey is ZTCZYBCTTJSWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-6-8(17(11,13)14)5-7(15-6)9(12)16-10(2,3)4/h5H,1-4H3,(H2,11,13,14).
What are the key properties of tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate?
tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 65382030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).