N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide

C11H19NOS — CID 169289333

IUPACN-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide
SMILESCSC1CC2CC(CNC(C)=O)C1C2
InChIInChI=1S/C11H19NOS/c1-7(13)12-6-9-3-8-4-10(9)11(5-8)14-2/h8-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyVPLUMGXUKUXFAE-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.90
Rot. Bonds3

About N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide

N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide (PubChem CID 169289333) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide
PubChem CID169289333
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide
SMILESCSC1CC2CC(CNC(C)=O)C1C2
InChIInChI=1S/C11H19NOS/c1-7(13)12-6-9-3-8-4-10(9)11(5-8)14-2/h8-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyVPLUMGXUKUXFAE-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide?
The IUPAC name of N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide (CID 169289333) is N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide.
What is the SMILES notation for N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide?
The canonical SMILES for N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide is CSC1CC2CC(CNC(C)=O)C1C2.
What is the InChIKey of N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide?
The InChIKey is VPLUMGXUKUXFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(13)12-6-9-3-8-4-10(9)11(5-8)14-2/h8-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide?
N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide has a molecular weight of 213.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]acetamide is sourced from PubChem (CID 169289333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).