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

C8H12N4O3S — CID 62299585

IUPAC5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
SMILESCn1nnnc1SCC1CCC(C(=O)O)O1
InChIInChI=1S/C8H12N4O3S/c1-12-8(9-10-11-12)16-4-5-2-3-6(15-5)7(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyMRHQBQJMJCFDCI-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.07
Rot. Bonds4

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

5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid (PubChem CID 62299585) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
PubChem CID62299585
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
SMILESCn1nnnc1SCC1CCC(C(=O)O)O1
InChIInChI=1S/C8H12N4O3S/c1-12-8(9-10-11-12)16-4-5-2-3-6(15-5)7(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyMRHQBQJMJCFDCI-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300458
5-[(1-methylpyrazol-4-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62298878
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
CID 62371631
5-[(4-amino-2-methylphenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62298355
5-[(4-propan-2-ylphenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300624
5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300459
5-[(2,6-dichlorophenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62298876
N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 863319
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-1-methyltetrazole
CID 4592616
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid (CID 62299585) is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid is Cn1nnnc1SCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The InChIKey is MRHQBQJMJCFDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-12-8(9-10-11-12)16-4-5-2-3-6(15-5)7(13)14/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).