2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid

C10H14N2O2S — CID 29063767

IUPAC2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccn1C1CCCC1
InChIInChI=1S/C10H14N2O2S/c13-9(14)7-15-10-11-5-6-12(10)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyFHAYLRLETDGWFK-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.17
Rot. Bonds4

About 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid

2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid (PubChem CID 29063767) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid
PubChem CID29063767
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccn1C1CCCC1
InChIInChI=1S/C10H14N2O2S/c13-9(14)7-15-10-11-5-6-12(10)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyFHAYLRLETDGWFK-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid (CID 29063767) is 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nccn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid?
The InChIKey is FHAYLRLETDGWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-9(14)7-15-10-11-5-6-12(10)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14).
What are the key properties of 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid has a molecular weight of 226.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 29063767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).