sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate

C10H16O4S2 — CID 141064013

IUPACsulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
SMILESCC1(C)C2CCC1(CS(=O)(=O)OS)C(=O)C2
InChIInChI=1S/C10H16O4S2/c1-9(2)7-3-4-10(9,8(11)5-7)6-16(12,13)14-15/h7,15H,3-6H2,1-2H3
InChIKeyYFVNWCFAWPCAMA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds3

About sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate

sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate (PubChem CID 141064013) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate.

Molecular Properties

Compound Namesulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
PubChem CID141064013
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Namesulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
SMILESCC1(C)C2CCC1(CS(=O)(=O)OS)C(=O)C2
InChIInChI=1S/C10H16O4S2/c1-9(2)7-3-4-10(9,8(11)5-7)6-16(12,13)14-15/h7,15H,3-6H2,1-2H3
InChIKeyYFVNWCFAWPCAMA-UHFFFAOYSA-N
XLogP1.57
TPSA60.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

D-Camphorsulfonic Acid
CID 65617
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-
CID 18462
Sodium camphorsulfonate
CID 23692755
10-Camphorsulfonyl chloride
CID 265799
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt (1:1)
CID 23686666
Camphor-10-sulfonyl chloride
CID 88856
Camphorsulfonic acid, (-)-
CID 5771688
(1S)-(+)-Camphor-10-sulphonic acid
CID 218580
4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
CID 71832
(R)-camphorsulfonic acid
CID 131278
10-Bornanesulfonamide, 2-oxo-, (+-)-
CID 573110
((1R,4S)-7,7-Dimethyl-2-oxobicyclo(2.2.1)heptan-1-yl)methanesulfonyl chloride
CID 9816396

Frequently Asked Questions

What is the IUPAC name of sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
The IUPAC name of sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate (CID 141064013) is sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate.
What is the SMILES notation for sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
The canonical SMILES for sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate is CC1(C)C2CCC1(CS(=O)(=O)OS)C(=O)C2.
What is the InChIKey of sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
The InChIKey is YFVNWCFAWPCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S2/c1-9(2)7-3-4-10(9,8(11)5-7)6-16(12,13)14-15/h7,15H,3-6H2,1-2H3.
What are the key properties of sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate has a molecular weight of 264.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate is sourced from PubChem (CID 141064013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).