2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid

C12H18N4O2S — CID 55180519

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Sc1nnnn1C1CCCC1
InChIInChI=1S/C12H18N4O2S/c17-11(18)9-6-3-7-10(9)19-12-13-14-15-16(12)8-4-1-2-5-8/h8-10H,1-7H2,(H,17,18)
InChIKeyZWOWZXVGZPJFPY-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.13
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid

2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 55180519) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID55180519
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Sc1nnnn1C1CCCC1
InChIInChI=1S/C12H18N4O2S/c17-11(18)9-6-3-7-10(9)19-12-13-14-15-16(12)8-4-1-2-5-8/h8-10H,1-7H2,(H,17,18)
InChIKeyZWOWZXVGZPJFPY-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid (CID 55180519) is 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Sc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is ZWOWZXVGZPJFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-11(18)9-6-3-7-10(9)19-12-13-14-15-16(12)8-4-1-2-5-8/h8-10H,1-7H2,(H,17,18).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid?
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 55180519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).