2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid

C10H16N4O2S — CID 43149251

IUPAC2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCC1CCCCC1n1nnnc1SCC(=O)O
InChIInChI=1S/C10H16N4O2S/c1-7-4-2-3-5-8(7)14-10(11-12-13-14)17-6-9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyFYNJCGRAOOQQII-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 43149251) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID43149251
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCC1CCCCC1n1nnnc1SCC(=O)O
InChIInChI=1S/C10H16N4O2S/c1-7-4-2-3-5-8(7)14-10(11-12-13-14)17-6-9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyFYNJCGRAOOQQII-UHFFFAOYSA-N
XLogP1.60
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid (CID 43149251) is 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid is CC1CCCCC1n1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is FYNJCGRAOOQQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7-4-2-3-5-8(7)14-10(11-12-13-14)17-6-9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 256.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 43149251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).