2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide

C15H25N3OS — CID 11808582

IUPAC2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESCC(C)(C)c1cnc(SCC(N)=O)n1C1CCCCC1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)12-9-17-14(20-10-13(16)19)18(12)11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3,(H2,16,19)
InChIKeyVLBWJIJCVIZWPN-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.26
Rot. Bonds4

About 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide

2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide (PubChem CID 11808582) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide
PubChem CID11808582
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESCC(C)(C)c1cnc(SCC(N)=O)n1C1CCCCC1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)12-9-17-14(20-10-13(16)19)18(12)11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3,(H2,16,19)
InChIKeyVLBWJIJCVIZWPN-UHFFFAOYSA-N
XLogP3.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-tert-butyl-1-(oxan-4-yl)imidazol-2-yl]sulfanylacetic acid
CID 81336706
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid
CID 81337465
2-[5-tert-butyl-1-(cyclobutylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81337722
2-(1-cyclobutyl-5-propan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 64863584
2-[5-tert-butyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81336662
tert-butyl 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7546044
2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3572999
2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82523529
ethyl 4-[2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 3483376
2-(5-tert-butyl-1-pyrimidin-5-ylimidazol-2-yl)sulfanylacetic acid
CID 107589447
2-[5-tert-butyl-1-(2,2-dimethylbutyl)imidazol-2-yl]sulfanylacetic acid
CID 103463512

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide (CID 11808582) is 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide is CC(C)(C)c1cnc(SCC(N)=O)n1C1CCCCC1.
What is the InChIKey of 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The InChIKey is VLBWJIJCVIZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,3)12-9-17-14(20-10-13(16)19)18(12)11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3,(H2,16,19).
What are the key properties of 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide?
2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide has a molecular weight of 295.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 11808582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).