5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid

C10H14N4O3S — CID 62300458

IUPAC5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CSc2nnnn2C2CC2)O1
InChIInChI=1S/C10H14N4O3S/c15-9(16)8-4-3-7(17-8)5-18-10-11-12-13-14(10)6-1-2-6/h6-8H,1-5H2,(H,15,16)
InChIKeyMEITZQQXDGYWLS-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.73
Rot. Bonds5

About 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid

5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid (PubChem CID 62300458) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
PubChem CID62300458
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CSc2nnnn2C2CC2)O1
InChIInChI=1S/C10H14N4O3S/c15-9(16)8-4-3-7(17-8)5-18-10-11-12-13-14(10)6-1-2-6/h6-8H,1-5H2,(H,15,16)
InChIKeyMEITZQQXDGYWLS-UHFFFAOYSA-N
XLogP0.73
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid (CID 62300458) is 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CSc2nnnn2C2CC2)O1.
What is the InChIKey of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The InChIKey is MEITZQQXDGYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-9(16)8-4-3-7(17-8)5-18-10-11-12-13-14(10)6-1-2-6/h6-8H,1-5H2,(H,15,16).
What are the key properties of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).