N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide

C10H17NO3S — CID 136544976

IUPACN-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CC2CCC1CC2
InChIInChI=1S/C10H17NO3S/c1-15(13,14)11-10(12)9-6-7-2-4-8(9)5-3-7/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyXZZGQGOKNUJXSH-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.89
Rot. Bonds2

About N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide

N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide (PubChem CID 136544976) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide
PubChem CID136544976
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CC2CCC1CC2
InChIInChI=1S/C10H17NO3S/c1-15(13,14)11-10(12)9-6-7-2-4-8(9)5-3-7/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyXZZGQGOKNUJXSH-UHFFFAOYSA-N
XLogP0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
CID 71890926
N-(1-chloropropan-2-yl)bicyclo[2.2.2]octane-2-carboxamide
CID 130763089
1-(2-bicyclo[2.2.2]octanyl)butane-1,3-dione
CID 127006463
calcium bis((2R)-bicyclo[2.2.2]octane-2-carboxylate)
CID 140572510
N-methylsulfonylcyclopentanecarboxamide
CID 70165379
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide
CID 103287565

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide (CID 136544976) is N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide is CS(=O)(=O)NC(=O)C1CC2CCC1CC2.
What is the InChIKey of N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is XZZGQGOKNUJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-15(13,14)11-10(12)9-6-7-2-4-8(9)5-3-7/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide?
N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 231.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 136544976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).