2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone

C15H22N4OS — CID 121190066

IUPAC2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(CSC1CCCC1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H22N4OS/c20-15(10-21-13-3-1-2-4-13)18-7-12(8-18)19-9-14(16-17-19)11-5-6-11/h9,11-13H,1-8,10H2
InChIKeyOUVIVQTUUFHJPB-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.21
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 121190066) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
PubChem CID121190066
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(CSC1CCCC1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H22N4OS/c20-15(10-21-13-3-1-2-4-13)18-7-12(8-18)19-9-14(16-17-19)11-5-6-11/h9,11-13H,1-8,10H2
InChIKeyOUVIVQTUUFHJPB-UHFFFAOYSA-N
XLogP2.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone (CID 121190066) is 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone is O=C(CSC1CCCC1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is OUVIVQTUUFHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c20-15(10-21-13-3-1-2-4-13)18-7-12(8-18)19-9-14(16-17-19)11-5-6-11/h9,11-13H,1-8,10H2.
What are the key properties of 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 306.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 121190066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).