methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate

C11H16N2O5S — CID 114094411

IUPACmethyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C11H16N2O5S/c1-17-11(14)9-3-2-4-10(9)19(15,16)13-7-8-5-6-12-18-8/h5-6,9-10,13H,2-4,7H2,1H3
InChIKeyDTTJWPWVUGCDQO-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.44
Rot. Bonds5

About methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 114094411) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID114094411
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Namemethyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C11H16N2O5S/c1-17-11(14)9-3-2-4-10(9)19(15,16)13-7-8-5-6-12-18-8/h5-6,9-10,13H,2-4,7H2,1H3
InChIKeyDTTJWPWVUGCDQO-UHFFFAOYSA-N
XLogP0.44
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342542
methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342994
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342859
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate (CID 114094411) is methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCc1ccno1.
What is the InChIKey of methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is DTTJWPWVUGCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-11(14)9-3-2-4-10(9)19(15,16)13-7-8-5-6-12-18-8/h5-6,9-10,13H,2-4,7H2,1H3.
What are the key properties of methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 114094411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).