9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

C11H20N2O2S — CID 120719187

IUPAC9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(CC1CC1)N1C2CCNCC1CC2
InChIInChI=1S/C11H20N2O2S/c14-16(15,8-9-1-2-9)13-10-3-4-11(13)7-12-6-5-10/h9-12H,1-8H2
InChIKeyAAZXEHWSOZHALM-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.55
Rot. Bonds3

About 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 120719187) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID120719187
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(CC1CC1)N1C2CCNCC1CC2
InChIInChI=1S/C11H20N2O2S/c14-16(15,8-9-1-2-9)13-10-3-4-11(13)7-12-6-5-10/h9-12H,1-8H2
InChIKeyAAZXEHWSOZHALM-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4,4-Trifluorobutylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 83059422
3-(3-Fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 119989145
9-(3-Fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719267
3-(4,4,4-Trifluorobutylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120875420
(1S*,6R*)-3-(ethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 50976186
2-(Azepan-3-yl)-1lambda6,2-thiazolidine-1,1-dione
CID 64005845
N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide
CID 64988935
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 64989224
3-Ethylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 75593899
9-Methyl-3-(2-piperidin-4-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 79165213
9-Methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 79165214
9-Methyl-3-(2-piperazin-1-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 79165405

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (CID 120719187) is 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is O=S(=O)(CC1CC1)N1C2CCNCC1CC2.
What is the InChIKey of 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is AAZXEHWSOZHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-16(15,8-9-1-2-9)13-10-3-4-11(13)7-12-6-5-10/h9-12H,1-8H2.
What are the key properties of 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 244.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 120719187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).