[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C14H23N5OS — CID 3231964

IUPAC[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCSc1nnc(C2CCN(C(=O)N3CCCC3)CC2)n1C
InChIInChI=1S/C14H23N5OS/c1-17-12(15-16-13(17)21-2)11-5-9-19(10-6-11)14(20)18-7-3-4-8-18/h11H,3-10H2,1-2H3
InChIKeyMKHHHPRVQSLGTH-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.93
Rot. Bonds2

About [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3231964) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID3231964
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCSc1nnc(C2CCN(C(=O)N3CCCC3)CC2)n1C
InChIInChI=1S/C14H23N5OS/c1-17-12(15-16-13(17)21-2)11-5-9-19(10-6-11)14(20)18-7-3-4-8-18/h11H,3-10H2,1-2H3
InChIKeyMKHHHPRVQSLGTH-UHFFFAOYSA-N
XLogP1.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 3231964) is [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is CSc1nnc(C2CCN(C(=O)N3CCCC3)CC2)n1C.
What is the InChIKey of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MKHHHPRVQSLGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-17-12(15-16-13(17)21-2)11-5-9-19(10-6-11)14(20)18-7-3-4-8-18/h11H,3-10H2,1-2H3.
What are the key properties of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 309.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3231964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).