2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide

C15H24N2O2S — CID 75372245

IUPAC2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)N(CC1CC2C=CC1C2)C(=O)CSCC(N)=O
InChIInChI=1S/C15H24N2O2S/c1-10(2)17(15(19)9-20-8-14(16)18)7-13-6-11-3-4-12(13)5-11/h3-4,10-13H,5-9H2,1-2H3,(H2,16,18)
InChIKeyFASMUBLYVUUYOR-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide

2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 75372245) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID75372245
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)N(CC1CC2C=CC1C2)C(=O)CSCC(N)=O
InChIInChI=1S/C15H24N2O2S/c1-10(2)17(15(19)9-20-8-14(16)18)7-13-6-11-3-4-12(13)5-11/h3-4,10-13H,5-9H2,1-2H3,(H2,16,18)
InChIKeyFASMUBLYVUUYOR-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide (CID 75372245) is 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide is CC(C)N(CC1CC2C=CC1C2)C(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is FASMUBLYVUUYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)17(15(19)9-20-8-14(16)18)7-13-6-11-3-4-12(13)5-11/h3-4,10-13H,5-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 296.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 75372245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).