9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H30N2O2S — CID 64642499

IUPAC9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)CS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-4-8-16-13-9-14-6-5-7-15(10-13)17(14)12(2)11-20(3,18)19/h12-16H,4-11H2,1-3H3
InChIKeyGYNPUULOHUHPAD-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.80
Rot. Bonds6

About 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 64642499) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID64642499
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)CS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-4-8-16-13-9-14-6-5-7-15(10-13)17(14)12(2)11-20(3,18)19/h12-16H,4-11H2,1-3H3
InChIKeyGYNPUULOHUHPAD-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 64643789
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106723889
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
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

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 64642499) is 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2C(C)CS(C)(=O)=O.
What is the InChIKey of 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is GYNPUULOHUHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-8-16-13-9-14-6-5-7-15(10-13)17(14)12(2)11-20(3,18)19/h12-16H,4-11H2,1-3H3.
What are the key properties of 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 302.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 64642499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).