1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one

C7H10N6O2S — CID 9107088

IUPAC1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
SMILESCn1nnnc1SCC(=O)N1CCNC1=O
InChIInChI=1S/C7H10N6O2S/c1-12-7(9-10-11-12)16-4-5(14)13-3-2-8-6(13)15/h2-4H2,1H3,(H,8,15)
InChIKeyOOXSBGLMNUYMQM-UHFFFAOYSA-N
MW242.26 g/mol
LogP-1.15
Rot. Bonds3

About 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one

1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 9107088) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
PubChem CID9107088
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
SMILESCn1nnnc1SCC(=O)N1CCNC1=O
InChIInChI=1S/C7H10N6O2S/c1-12-7(9-10-11-12)16-4-5(14)13-3-2-8-6(13)15/h2-4H2,1H3,(H,8,15)
InChIKeyOOXSBGLMNUYMQM-UHFFFAOYSA-N
XLogP-1.15
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one (CID 9107088) is 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one is Cn1nnnc1SCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is OOXSBGLMNUYMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-12-7(9-10-11-12)16-4-5(14)13-3-2-8-6(13)15/h2-4H2,1H3,(H,8,15).
What are the key properties of 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 242.26 g/mol, XLogP of -1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 9107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).