N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H24N2OS — CID 113266965

IUPACN-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCSCCC(C)NC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H24N2OS/c1-3-17-7-6-9(2)14-13(16)11-8-10-4-5-12(11)15-10/h9-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyMPIIHDBKFQBPLT-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.77
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113266965) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113266965
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCSCCC(C)NC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H24N2OS/c1-3-17-7-6-9(2)14-13(16)11-8-10-4-5-12(11)15-10/h9-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyMPIIHDBKFQBPLT-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 115734464
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81359990
5-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113441124
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
N-[(1R)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81360058
1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-methylhexan-1-one
CID 116575994
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522
N-(4-ethylsulfanylbutan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893859
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103812773

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 113266965) is N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CCSCCC(C)NC(=O)C1CC2CCC1N2.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MPIIHDBKFQBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-17-7-6-9(2)14-13(16)11-8-10-4-5-12(11)15-10/h9-12,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113266965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).