9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H28N2O2S — CID 106723889

IUPAC9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCS(=O)(=O)CCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H28N2O2S/c1-3-8-19(17,18)9-7-15-12-10-13-5-4-6-14(11-12)16(13)2/h12-15H,3-11H2,1-2H3
InChIKeyADFGIPBPKCFHJG-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds6

About 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106723889) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106723889
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCS(=O)(=O)CCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H28N2O2S/c1-3-8-19(17,18)9-7-15-12-10-13-5-4-6-14(11-12)16(13)2/h12-15H,3-11H2,1-2H3
InChIKeyADFGIPBPKCFHJG-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093619
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514
9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104807094
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 106723889) is 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCS(=O)(=O)CCNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ADFGIPBPKCFHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-8-19(17,18)9-7-15-12-10-13-5-4-6-14(11-12)16(13)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106723889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).