methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate

C10H13N5O5S — CID 146090438

IUPACmethyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCn2ncnn2)oc1C
InChIInChI=1S/C10H13N5O5S/c1-7-8(10(16)19-2)5-9(20-7)21(17,18)13-3-4-15-12-6-11-14-15/h5-6,13H,3-4H2,1-2H3
InChIKeyNKSUYPPVZZVORH-UHFFFAOYSA-N
MW315.31 g/mol
LogP-0.66
Rot. Bonds6

About methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate

methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate (PubChem CID 146090438) has the molecular formula C10H13N5O5S and a molecular weight of 315.31 g/mol. Its IUPAC name is methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
PubChem CID146090438
Molecular FormulaC10H13N5O5S
Molecular Weight315.31 g/mol
Exact Mass315.06
IUPAC Namemethyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCn2ncnn2)oc1C
InChIInChI=1S/C10H13N5O5S/c1-7-8(10(16)19-2)5-9(20-7)21(17,18)13-3-4-15-12-6-11-14-15/h5-6,13H,3-4H2,1-2H3
InChIKeyNKSUYPPVZZVORH-UHFFFAOYSA-N
XLogP-0.66
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
CID 119994394
methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
CID 120715512
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056
methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
CID 119967240
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119976049
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-2-methylfuran-3-carboxylate
CID 119959348
methyl 5-(chlorosulfonylmethyl)-2-methylfuran-3-carboxylate
CID 62086161
methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate
CID 119968151
methyl 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methylfuran-3-carboxylate
CID 119989012
(2S,3S)-1-(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105260

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate (CID 146090438) is methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCn2ncnn2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate?
The InChIKey is NKSUYPPVZZVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5S/c1-7-8(10(16)19-2)5-9(20-7)21(17,18)13-3-4-15-12-6-11-14-15/h5-6,13H,3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate?
methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate has a molecular weight of 315.31 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 146090438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).