2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane

C18H26N2O2S — CID 126809494

IUPAC2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCS(=O)(=O)CC1(CN2CC3CC2CN3Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2S/c1-23(21,22)14-18(7-8-18)13-20-12-16-9-17(20)11-19(16)10-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyUQSDQMVMUODKFU-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.77
Rot. Bonds6

About 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane

2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 126809494) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID126809494
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCS(=O)(=O)CC1(CN2CC3CC2CN3Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2S/c1-23(21,22)14-18(7-8-18)13-20-12-16-9-17(20)11-19(16)10-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyUQSDQMVMUODKFU-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S)-2-benzyl-5-(dimethylphosphorylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 166403005
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
CID 130543589
(1R,5R)-6-benzyl-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
CID 70739460
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
CID 130543512
(1R,5S)-6-benzyl-3-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133127610
[(3S)-1-benzyl-5-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate
CID 87252176
1-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 138998010
N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
CID 68604895
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
CID 130838279
4-[(4S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-fluoroaniline
CID 91341344
(1S,4S)-2-benzyl-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 126829182

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 126809494) is 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane is CS(=O)(=O)CC1(CN2CC3CC2CN3Cc2ccccc2)CC1.
What is the InChIKey of 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is UQSDQMVMUODKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-23(21,22)14-18(7-8-18)13-20-12-16-9-17(20)11-19(16)10-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3.
What are the key properties of 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 334.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 126809494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).