N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide

C10H18N2OS — CID 130663104

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
SMILESCN1C2CCC1CC(NC(=O)CS)C2
InChIInChI=1S/C10H18N2OS/c1-12-8-2-3-9(12)5-7(4-8)11-10(13)6-14/h7-9,14H,2-6H2,1H3,(H,11,13)
InChIKeyVZAWQLWLISREIR-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.66
Rot. Bonds2

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide (PubChem CID 130663104) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
PubChem CID130663104
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
SMILESCN1C2CCC1CC(NC(=O)CS)C2
InChIInChI=1S/C10H18N2OS/c1-12-8-2-3-9(12)5-7(4-8)11-10(13)6-14/h7-9,14H,2-6H2,1H3,(H,11,13)
InChIKeyVZAWQLWLISREIR-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide (CID 130663104) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide is CN1C2CCC1CC(NC(=O)CS)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide?
The InChIKey is VZAWQLWLISREIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12-8-2-3-9(12)5-7(4-8)11-10(13)6-14/h7-9,14H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide has a molecular weight of 214.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 130663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).