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

C16H23N3OS — CID 3000189

IUPACN-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3OS/c1-19-3-2-17-15(19)21-10-14(20)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h2-3,11-13H,4-10H2,1H3,(H,18,20)
InChIKeyOLWJJCVFMLQOBB-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.60
Rot. Bonds4

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

N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 3000189) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID3000189
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3OS/c1-19-3-2-17-15(19)21-10-14(20)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h2-3,11-13H,4-10H2,1H3,(H,18,20)
InChIKeyOLWJJCVFMLQOBB-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 16278221
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride
CID 6603260
Urea, N-[3-(1H-imidazol-1-yl)propyl]-N'-tricyclo[3.3.1.1(3,7)]dec-1-yl-
CID 5062873
N-(1-Cyanocyclohexyl)-2-((1-methyl-1H-imidazol-2-yl)thio)acetamide
CID 16255976
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2999050
N-(1-adamantylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 16273500
N-(2-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6472495
N-(1-adamantylcarbamoyl)-3-imidazol-1-ylpropanamide
CID 16311147
N-[1-(1-adamantyl)ethyl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 17536637
N-(1-cyanocycloheptyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 24243789
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide chloride
CID 53312693
N-Tricyclo[3.3.1.13,7]dec-1-yl-1H-imidazole-1-carboxamide
CID 4502359

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 3000189) is N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is OLWJJCVFMLQOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-19-3-2-17-15(19)21-10-14(20)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h2-3,11-13H,4-10H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 305.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3000189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).