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

C13H19N3OS — CID 30605276

IUPACN-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H19N3OS/c1-16-7-6-14-13(16)18-8-11(17)15-12(9-2-3-9)10-4-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H,15,17)
InChIKeyKAEJOLVOPAGRIJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.82
Rot. Bonds6

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

N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 30605276) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID30605276
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H19N3OS/c1-16-7-6-14-13(16)18-8-11(17)15-12(9-2-3-9)10-4-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H,15,17)
InChIKeyKAEJOLVOPAGRIJ-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide
CID 33459211
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 30605276) is N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is KAEJOLVOPAGRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16-7-6-14-13(16)18-8-11(17)15-12(9-2-3-9)10-4-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 265.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 30605276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).