3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane

C10H20N2O2S — CID 102547987

IUPAC3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)S(=O)(=O)N1CC2CNCC(C2)C1
InChIInChI=1S/C10H20N2O2S/c1-8(2)15(13,14)12-6-9-3-10(7-12)5-11-4-9/h8-11H,3-7H2,1-2H3
InChIKeyYSKJPERMLMHRPA-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.27
Rot. Bonds2

About 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane

3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 102547987) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID102547987
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)S(=O)(=O)N1CC2CNCC(C2)C1
InChIInChI=1S/C10H20N2O2S/c1-8(2)15(13,14)12-6-9-3-10(7-12)5-11-4-9/h8-11H,3-7H2,1-2H3
InChIKeyYSKJPERMLMHRPA-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
3-methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
3-propan-2-yl-1-propan-2-ylsulfonylazetidine
CID 121339915
1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol
CID 141032628
3-(benzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonane
CID 19044688
(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine
CID 72931486
1-propan-2-ylsulfonylimidazolidine
CID 118937794
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
(2S)-2-amino-1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)-4-methylpentan-1-one
CID 134857624
(1S,5S)-3-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98469877
3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
CID 170375113

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane (CID 102547987) is 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane is CC(C)S(=O)(=O)N1CC2CNCC(C2)C1.
What is the InChIKey of 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is YSKJPERMLMHRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(2)15(13,14)12-6-9-3-10(7-12)5-11-4-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane?
3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 232.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 102547987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).