N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide

C9H10N2O2S — CID 56794182

IUPACN-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESN#CCNC(=O)CSCc1ccco1
InChIInChI=1S/C9H10N2O2S/c10-3-4-11-9(12)7-14-6-8-2-1-5-13-8/h1-2,5H,4,6-7H2,(H,11,12)
InChIKeyABBZKTRDRMNDPI-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.15
Rot. Bonds5

About N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 56794182) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID56794182
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESN#CCNC(=O)CSCc1ccco1
InChIInChI=1S/C9H10N2O2S/c10-3-4-11-9(12)7-14-6-8-2-1-5-13-8/h1-2,5H,4,6-7H2,(H,11,12)
InChIKeyABBZKTRDRMNDPI-UHFFFAOYSA-N
XLogP1.15
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
N-[2-(cyanomethylsulfanyl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780898
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780784
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
4-[2-(furan-2-ylmethylsulfanyl)acetyl]benzonitrile
CID 43225023
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
methyl 2-(furan-2-ylmethylsulfanylcarbonylsulfanyl)acetate
CID 10467102

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 56794182) is N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide is N#CCNC(=O)CSCc1ccco1.
What is the InChIKey of N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is ABBZKTRDRMNDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-3-4-11-9(12)7-14-6-8-2-1-5-13-8/h1-2,5H,4,6-7H2,(H,11,12).
What are the key properties of N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 210.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 56794182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).