2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid

C8H12N4O3S — CID 62825409

IUPAC2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1CC1CCOC1
InChIInChI=1S/C8H12N4O3S/c13-7(14)5-16-8-9-10-11-12(8)3-6-1-2-15-4-6/h6H,1-5H2,(H,13,14)
InChIKeyIFOJANKVHPMVCW-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.11
Rot. Bonds5

About 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 62825409) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID62825409
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1CC1CCOC1
InChIInChI=1S/C8H12N4O3S/c13-7(14)5-16-8-9-10-11-12(8)3-6-1-2-15-4-6/h6H,1-5H2,(H,13,14)
InChIKeyIFOJANKVHPMVCW-UHFFFAOYSA-N
XLogP-0.11
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid (CID 62825409) is 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1CC1CCOC1.
What is the InChIKey of 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is IFOJANKVHPMVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c13-7(14)5-16-8-9-10-11-12(8)3-6-1-2-15-4-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 244.28 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 62825409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).