2-(cyanomethylsulfanyl)-N-cyclohexylacetamide

C10H16N2OS — CID 60746455

IUPAC2-(cyanomethylsulfanyl)-N-cyclohexylacetamide
SMILESN#CCSCC(=O)NC1CCCCC1
InChIInChI=1S/C10H16N2OS/c11-6-7-14-8-10(13)12-9-4-2-1-3-5-9/h9H,1-5,7-8H2,(H,12,13)
InChIKeyLZUQQEFAYVEAMZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.69
Rot. Bonds4

About 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide

2-(cyanomethylsulfanyl)-N-cyclohexylacetamide (PubChem CID 60746455) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-N-cyclohexylacetamide
PubChem CID60746455
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(cyanomethylsulfanyl)-N-cyclohexylacetamide
SMILESN#CCSCC(=O)NC1CCCCC1
InChIInChI=1S/C10H16N2OS/c11-6-7-14-8-10(13)12-9-4-2-1-3-5-9/h9H,1-5,7-8H2,(H,12,13)
InChIKeyLZUQQEFAYVEAMZ-UHFFFAOYSA-N
XLogP1.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyanomethylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957139
2-(cyanomethylsulfanyl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47908698
2-cyano-N-cyclopentylacetamide
CID 5093205
2-[[2-(cyanomethylsulfanyl)acetyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214663
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
2-(cyanomethylsulfanyl)acetohydrazide
CID 43348499
N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105990
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581
2-(cyanomethylsulfanyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520946
N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105597
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide?
The IUPAC name of 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide (CID 60746455) is 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide is N#CCSCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide?
The InChIKey is LZUQQEFAYVEAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-6-7-14-8-10(13)12-9-4-2-1-3-5-9/h9H,1-5,7-8H2,(H,12,13).
What are the key properties of 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide?
2-(cyanomethylsulfanyl)-N-cyclohexylacetamide has a molecular weight of 212.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-N-cyclohexylacetamide is sourced from PubChem (CID 60746455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).