(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride

C10H15ClO3S — CID 14867274

IUPAC(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride
SMILESCC1(C)C(=O)C2(CS(=O)(=O)Cl)CCC1C2
InChIInChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(5-7,8(9)12)6-15(11,13)14/h7H,3-6H2,1-2H3
InChIKeyURGLQFFZHRFRSA-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.95
Rot. Bonds2

About (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride

(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride (PubChem CID 14867274) has the molecular formula C10H15ClO3S and a molecular weight of 250.75 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride
PubChem CID14867274
Molecular FormulaC10H15ClO3S
Molecular Weight250.75 g/mol
Exact Mass250.04
IUPAC Name(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride
SMILESCC1(C)C(=O)C2(CS(=O)(=O)Cl)CCC1C2
InChIInChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(5-7,8(9)12)6-15(11,13)14/h7H,3-6H2,1-2H3
InChIKeyURGLQFFZHRFRSA-UHFFFAOYSA-N
XLogP1.95
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
(7,7-dimethyl-2,3-dioxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride
CID 22078949
[(1S,4R)-7,7-dimethyl-2,3-dioxo-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
CID 98115781
(1S,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 50897820
N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide
CID 101125518
N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide
CID 100974416
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18858651
1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
CID 119031417
[(1R,4R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 11180889
(1S,4R)-1-(4-ethylpiperazine-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 50898143
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18963492
1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one
CID 14023804

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride?
The IUPAC name of (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride (CID 14867274) is (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride.
What is the SMILES notation for (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride?
The canonical SMILES for (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride is CC1(C)C(=O)C2(CS(=O)(=O)Cl)CCC1C2.
What is the InChIKey of (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride?
The InChIKey is URGLQFFZHRFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(5-7,8(9)12)6-15(11,13)14/h7H,3-6H2,1-2H3.
What are the key properties of (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride?
(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride has a molecular weight of 250.75 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride is sourced from PubChem (CID 14867274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).