2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C15H26N4OS — CID 1451255

IUPAC2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1CC
InChIInChI=1S/C15H26N4OS/c1-4-8-13-16-17-15(18(13)5-2)21-11-14(20)19-10-7-6-9-12(19)3/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyXLCSQXZOQUPNCW-LBPRGKRZSA-N
MW310.47 g/mol
LogP2.74
Rot. Bonds6

About 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 1451255) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID1451255
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1CC
InChIInChI=1S/C15H26N4OS/c1-4-8-13-16-17-15(18(13)5-2)21-11-14(20)19-10-7-6-9-12(19)3/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyXLCSQXZOQUPNCW-LBPRGKRZSA-N
XLogP2.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

N-Cyclopropyl-2-(4-ethyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451308
N-Cyclopentyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451346
N-Cyclohexyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451347
N-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 2404227
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 2988768
N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469650
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide
CID 16289595
2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 656245
N-tert-butyl-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 848422
1-Piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 855207
1-(2,6-Dimethyl-piperidin-1-yl)-2-[4-(3-methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 3212517
N-cyclohexyl-2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468708

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 1451255) is 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is CCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1CC.
What is the InChIKey of 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is XLCSQXZOQUPNCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-8-13-16-17-15(18(13)5-2)21-11-14(20)19-10-7-6-9-12(19)3/h12H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 310.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 1451255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).