2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride

C6H10ClNO2S — CID 54595104

IUPAC2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC2CCC1C2
InChIInChI=1S/C6H10ClNO2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2
InChIKeyJTJDUIZFCHPANH-UHFFFAOYSA-N
MW195.67 g/mol
LogP0.95
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride

2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride (PubChem CID 54595104) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
PubChem CID54595104
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Name2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC2CCC1C2
InChIInChI=1S/C6H10ClNO2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2
InChIKeyJTJDUIZFCHPANH-UHFFFAOYSA-N
XLogP0.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo[2.2.1]heptane-2-sulfonamide
CID 61067967
2-Methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 61059258
2-Sulfanyl-2-azabicyclo[2.2.1]heptane
CID 123447038
2-(Disulfanyl)-2-azabicyclo[2.2.1]heptane
CID 147598445
2-Azabicyclo[2.2.1]heptan-2-yl thiohypochlorite
CID 166785696
2-(Chloromethylsulfonyl)-2-azabicyclo[2.2.1]heptane
CID 63664766
(1R,4R)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
CID 98125093
(1S,4R)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
CID 98125094
(1R,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
CID 98125095
(1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
CID 98125096
N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
CID 120583263
N-methyl-2-azabicyclo[2.2.1]heptane-2-sulfonamide
CID 127362905

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
The IUPAC name of 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride (CID 54595104) is 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride is O=S(=O)(Cl)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
The InChIKey is JTJDUIZFCHPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2.
What are the key properties of 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride has a molecular weight of 195.67 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride is sourced from PubChem (CID 54595104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).