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

C11H16N6O2S — CID 9362375

IUPAC1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCNC1=O
InChIInChI=1S/C11H16N6O2S/c18-9(16-6-5-12-10(16)19)7-20-11-13-14-15-17(11)8-3-1-2-4-8/h8H,1-7H2,(H,12,19)
InChIKeyVUSLAQKSZDXBNK-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.43
Rot. Bonds4

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

1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 9362375) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
PubChem CID9362375
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCNC1=O
InChIInChI=1S/C11H16N6O2S/c18-9(16-6-5-12-10(16)19)7-20-11-13-14-15-17(11)8-3-1-2-4-8/h8H,1-7H2,(H,12,19)
InChIKeyVUSLAQKSZDXBNK-UHFFFAOYSA-N
XLogP0.43
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one (CID 9362375) is 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one is O=C(CSc1nnnn1C1CCCC1)N1CCNC1=O.
What is the InChIKey of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is VUSLAQKSZDXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c18-9(16-6-5-12-10(16)19)7-20-11-13-14-15-17(11)8-3-1-2-4-8/h8H,1-7H2,(H,12,19).
What are the key properties of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 296.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 9362375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).