N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide

C8H15ClN2O2S — CID 63666165

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NC1CN2CCC1CC2
InChIInChI=1S/C8H15ClN2O2S/c9-6-14(12,13)10-8-5-11-3-1-7(8)2-4-11/h7-8,10H,1-6H2
InChIKeyRWTAZEDDNYWZHI-UHFFFAOYSA-N
MW238.74 g/mol
LogP0.20
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide (PubChem CID 63666165) has the molecular formula C8H15ClN2O2S and a molecular weight of 238.74 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
PubChem CID63666165
Molecular FormulaC8H15ClN2O2S
Molecular Weight238.74 g/mol
Exact Mass238.05
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NC1CN2CCC1CC2
InChIInChI=1S/C8H15ClN2O2S/c9-6-14(12,13)10-8-5-11-3-1-7(8)2-4-11/h7-8,10H,1-6H2
InChIKeyRWTAZEDDNYWZHI-UHFFFAOYSA-N
XLogP0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 60865459
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43807688
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide
CID 167848874
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 91948739
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide
CID 62143661
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342193
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylbenzenesulfonamide
CID 43101359
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,6-dimethylbenzenesulfonamide
CID 43257654

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide (CID 63666165) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide is O=S(=O)(CCl)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide?
The InChIKey is RWTAZEDDNYWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2S/c9-6-14(12,13)10-8-5-11-3-1-7(8)2-4-11/h7-8,10H,1-6H2.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide has a molecular weight of 238.74 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide is sourced from PubChem (CID 63666165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).