N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C11H20N2O2S — CID 115739349

IUPACN-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCS(=O)CCNC(=O)C1CC2CCC1N2
InChIInChI=1S/C11H20N2O2S/c1-2-16(15)6-5-12-11(14)9-7-8-3-4-10(9)13-8/h8-10,13H,2-7H2,1H3,(H,12,14)
InChIKeyMSFORAZDWZRMNZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.01
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 115739349) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID115739349
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCS(=O)CCNC(=O)C1CC2CCC1N2
InChIInChI=1S/C11H20N2O2S/c1-2-16(15)6-5-12-11(14)9-7-8-3-4-10(9)13-8/h8-10,13H,2-7H2,1H3,(H,12,14)
InChIKeyMSFORAZDWZRMNZ-UHFFFAOYSA-N
XLogP0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107842560
N-[2-(dimethylsulfamoyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114175261
5-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113441124
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726
6-(2-ethylsulfinylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 113494468
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115739346
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522
N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
CID 114424559
N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106135216
N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103812773
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 115739349) is N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CCS(=O)CCNC(=O)C1CC2CCC1N2.
What is the InChIKey of N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MSFORAZDWZRMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-16(15)6-5-12-11(14)9-7-8-3-4-10(9)13-8/h8-10,13H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 115739349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).