2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid

C5H8N4O4S — CID 66042974

IUPAC2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid
SMILESCS(=O)(=O)Cc1nnnn1CC(=O)O
InChIInChI=1S/C5H8N4O4S/c1-14(12,13)3-4-6-7-8-9(4)2-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyOWKLKKHKRSXWDA-UHFFFAOYSA-N
MW220.21 g/mol
LogP-1.70
Rot. Bonds4

About 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid

2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid (PubChem CID 66042974) has the molecular formula C5H8N4O4S and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid
PubChem CID66042974
Molecular FormulaC5H8N4O4S
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Name2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid
SMILESCS(=O)(=O)Cc1nnnn1CC(=O)O
InChIInChI=1S/C5H8N4O4S/c1-14(12,13)3-4-6-7-8-9(4)2-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyOWKLKKHKRSXWDA-UHFFFAOYSA-N
XLogP-1.70
TPSA115.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid (CID 66042974) is 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid is CS(=O)(=O)Cc1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid?
The InChIKey is OWKLKKHKRSXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O4S/c1-14(12,13)3-4-6-7-8-9(4)2-5(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid?
2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid has a molecular weight of 220.21 g/mol, XLogP of -1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66042974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).