(1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride

C6H10ClNO2S — CID 98125096

IUPAC(1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C6H10ClNO2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyJTJDUIZFCHPANH-WDSKDSINSA-N
MW195.67 g/mol
LogP0.95
Rot. Bonds1

About (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride

(1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride (PubChem CID 98125096) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride.

Molecular Properties

Compound Name(1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
PubChem CID98125096
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Name(1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C6H10ClNO2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyJTJDUIZFCHPANH-WDSKDSINSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
The IUPAC name of (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride (CID 98125096) is (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride.
What is the SMILES notation for (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
The canonical SMILES for (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride is O=S(=O)(Cl)N1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
The InChIKey is JTJDUIZFCHPANH-WDSKDSINSA-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/t5-,6-/m0/s1.
What are the key properties of (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride?
(1S,4S)-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 (1S,4S)-2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride is sourced from PubChem (CID 98125096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).