methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate

C10H17N5O4S — CID 103342858

IUPACmethyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C10H17N5O4S/c1-6(9-11-14-15-12-9)13-20(17,18)8-5-3-4-7(8)10(16)19-2/h6-8,13H,3-5H2,1-2H3,(H,11,12,14,15)
InChIKeyKWBVVCFHBJBFIG-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.48
Rot. Bonds5

About methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate

methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342858) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342858
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Namemethyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C10H17N5O4S/c1-6(9-11-14-15-12-9)13-20(17,18)8-5-3-4-7(8)10(16)19-2/h6-8,13H,3-5H2,1-2H3,(H,11,12,14,15)
InChIKeyKWBVVCFHBJBFIG-UHFFFAOYSA-N
XLogP-0.48
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate (CID 103342858) is methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is KWBVVCFHBJBFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-6(9-11-14-15-12-9)13-20(17,18)8-5-3-4-7(8)10(16)19-2/h6-8,13H,3-5H2,1-2H3,(H,11,12,14,15).
What are the key properties of methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 303.34 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).