N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C15H25N3OS — CID 75405791

IUPACN-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCC1CCCCCCC1
InChIInChI=1S/C15H25N3OS/c1-18-10-9-16-15(18)20-12-14(19)17-11-13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3,(H,17,19)
InChIKeyMZTUQOXPVIOZRK-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.99
Rot. Bonds5

About N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 75405791) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID75405791
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCC1CCCCCCC1
InChIInChI=1S/C15H25N3OS/c1-18-10-9-16-15(18)20-12-14(19)17-11-13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3,(H,17,19)
InChIKeyMZTUQOXPVIOZRK-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111536922
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825232
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 25406812
(2S)-1-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]azepane-2-carboxamide
CID 97138987
2-(1-methylimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9200933

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 75405791) is N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NCC1CCCCCCC1.
What is the InChIKey of N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is MZTUQOXPVIOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-18-10-9-16-15(18)20-12-14(19)17-11-13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3,(H,17,19).
What are the key properties of N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 295.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 75405791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).