2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

C11H20N4OS — CID 125172462

IUPAC2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCSCC(=O)N[C@@H](c1ncnn1C)C(C)C
InChIInChI=1S/C11H20N4OS/c1-5-17-6-9(16)14-10(8(2)3)11-12-7-13-15(11)4/h7-8,10H,5-6H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyRVUQVNXRVWUTQI-SNVBAGLBSA-N
MW256.37 g/mol
LogP1.38
Rot. Bonds6

About 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 125172462) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID125172462
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCSCC(=O)N[C@@H](c1ncnn1C)C(C)C
InChIInChI=1S/C11H20N4OS/c1-5-17-6-9(16)14-10(8(2)3)11-12-7-13-15(11)4/h7-8,10H,5-6H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyRVUQVNXRVWUTQI-SNVBAGLBSA-N
XLogP1.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 125172462) is 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is CCSCC(=O)N[C@@H](c1ncnn1C)C(C)C.
What is the InChIKey of 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is RVUQVNXRVWUTQI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-17-6-9(16)14-10(8(2)3)11-12-7-13-15(11)4/h7-8,10H,5-6H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 125172462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).