cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C14H22N4OS — CID 7451468

IUPACcyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCSc1nnc([C@@H]2CCCN2C(=O)C2CCCC2)n1C
InChIInChI=1S/C14H22N4OS/c1-17-12(15-16-14(17)20-2)11-8-5-9-18(11)13(19)10-6-3-4-7-10/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyJYTVZCNPAAJLES-NSHDSACASA-N
MW294.42 g/mol
LogP2.39
Rot. Bonds3

About cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 7451468) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID7451468
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Namecyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCSc1nnc([C@@H]2CCCN2C(=O)C2CCCC2)n1C
InChIInChI=1S/C14H22N4OS/c1-17-12(15-16-14(17)20-2)11-8-5-9-18(11)13(19)10-6-3-4-7-10/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyJYTVZCNPAAJLES-NSHDSACASA-N
XLogP2.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 7451468) is cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is CSc1nnc([C@@H]2CCCN2C(=O)C2CCCC2)n1C.
What is the InChIKey of cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JYTVZCNPAAJLES-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4OS/c1-17-12(15-16-14(17)20-2)11-8-5-9-18(11)13(19)10-6-3-4-7-10/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 294.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 7451468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).