2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid

C8H12N4O3S — CID 43610496

IUPAC2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1C1CCOCC1
InChIInChI=1S/C8H12N4O3S/c13-7(14)5-16-8-9-10-11-12(8)6-1-3-15-4-2-6/h6H,1-5H2,(H,13,14)
InChIKeyZEYFHMUOKRGIIS-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.20
Rot. Bonds4

About 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 43610496) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID43610496
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1C1CCOCC1
InChIInChI=1S/C8H12N4O3S/c13-7(14)5-16-8-9-10-11-12(8)6-1-3-15-4-2-6/h6H,1-5H2,(H,13,14)
InChIKeyZEYFHMUOKRGIIS-UHFFFAOYSA-N
XLogP0.20
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693488
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239
(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 95347603
2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 62825409
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300458
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630021
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid (CID 43610496) is 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is ZEYFHMUOKRGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c13-7(14)5-16-8-9-10-11-12(8)6-1-3-15-4-2-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 244.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 43610496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).