(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride

C8H13ClO3S2 — CID 171937345

IUPAC(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride
SMILESO=S1C2CCC1CC(CS(=O)(=O)Cl)C2
InChIInChI=1S/C8H13ClO3S2/c9-14(11,12)5-6-3-7-1-2-8(4-6)13(7)10/h6-8H,1-5H2
InChIKeyLDKVYCFUEXMSKS-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.24
Rot. Bonds2

About (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride

(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride (PubChem CID 171937345) has the molecular formula C8H13ClO3S2 and a molecular weight of 256.78 g/mol. Its IUPAC name is (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride
PubChem CID171937345
Molecular FormulaC8H13ClO3S2
Molecular Weight256.78 g/mol
Exact Mass256.00
IUPAC Name(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride
SMILESO=S1C2CCC1CC(CS(=O)(=O)Cl)C2
InChIInChI=1S/C8H13ClO3S2/c9-14(11,12)5-6-3-7-1-2-8(4-6)13(7)10/h6-8H,1-5H2
InChIKeyLDKVYCFUEXMSKS-UHFFFAOYSA-N
XLogP1.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride?
The IUPAC name of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride (CID 171937345) is (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride?
The canonical SMILES for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride is O=S1C2CCC1CC(CS(=O)(=O)Cl)C2.
What is the InChIKey of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride?
The InChIKey is LDKVYCFUEXMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO3S2/c9-14(11,12)5-6-3-7-1-2-8(4-6)13(7)10/h6-8H,1-5H2.
What are the key properties of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride?
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride has a molecular weight of 256.78 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 171937345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).