methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate

C9H15N5O4S — CID 103342859

IUPACmethyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C9H15N5O4S/c1-18-9(15)6-3-2-4-7(6)19(16,17)10-5-8-11-13-14-12-8/h6-7,10H,2-5H2,1H3,(H,11,12,13,14)
InChIKeyVXPGRKSTXOKINJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP-1.04
Rot. Bonds5

About methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342859) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342859
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Namemethyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C9H15N5O4S/c1-18-9(15)6-3-2-4-7(6)19(16,17)10-5-8-11-13-14-12-8/h6-7,10H,2-5H2,1H3,(H,11,12,13,14)
InChIKeyVXPGRKSTXOKINJ-UHFFFAOYSA-N
XLogP-1.04
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]cyclopentane-1-carboxylate
CID 103342858

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate (CID 103342859) is methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCc1nn[nH]n1.
What is the InChIKey of methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is VXPGRKSTXOKINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c1-18-9(15)6-3-2-4-7(6)19(16,17)10-5-8-11-13-14-12-8/h6-7,10H,2-5H2,1H3,(H,11,12,13,14).
What are the key properties of methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 289.32 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).