N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C12H24N2O2S — CID 107093619

IUPACN-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCS(=O)(=O)CCNC1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2O2S/c1-3-17(15,16)7-6-13-10-8-11-4-5-12(9-10)14(11)2/h10-13H,3-9H2,1-2H3
InChIKeySSPNKMJFDSPEHY-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107093619) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107093619
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCS(=O)(=O)CCNC1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2O2S/c1-3-17(15,16)7-6-13-10-8-11-4-5-12(9-10)14(11)2/h10-13H,3-9H2,1-2H3
InChIKeySSPNKMJFDSPEHY-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106723889
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
CID 103780983
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
4-(2-ethylsulfonylethylamino)cyclohexan-1-ol
CID 103710266
8-methyl-N-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63981872
N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54932012
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107093619) is N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCS(=O)(=O)CCNC1CC2CCC(C1)N2C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SSPNKMJFDSPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-17(15,16)7-6-13-10-8-11-4-5-12(9-10)14(11)2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107093619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).