2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C15H24N4OS — CID 98284692

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCn1cnnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C15H24N4OS/c1-14(2)10-5-6-15(14,3)11(7-10)17-12(20)8-21-13-18-16-9-19(13)4/h9-11H,5-8H2,1-4H3,(H,17,20)/t10-,11-,15-/m1/s1
InChIKeyCYTJENVHOSLDRD-UEKVPHQBSA-N
MW308.45 g/mol
LogP2.24
Rot. Bonds4

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 98284692) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID98284692
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCn1cnnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C15H24N4OS/c1-14(2)10-5-6-15(14,3)11(7-10)17-12(20)8-21-13-18-16-9-19(13)4/h9-11H,5-8H2,1-4H3,(H,17,20)/t10-,11-,15-/m1/s1
InChIKeyCYTJENVHOSLDRD-UEKVPHQBSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 98284692) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is Cn1cnnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is CYTJENVHOSLDRD-UEKVPHQBSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-14(2)10-5-6-15(14,3)11(7-10)17-12(20)8-21-13-18-16-9-19(13)4/h9-11H,5-8H2,1-4H3,(H,17,20)/t10-,11-,15-/m1/s1.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 98284692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).