(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane

C10H18O2S — CID 98304426

IUPAC(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane
SMILESCC(C)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H18O2S/c1-7(2)13(11,12)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyWGYVIEAFDYJBIC-OPRDCNLKSA-N
MW202.32 g/mol
LogP2.00
Rot. Bonds2

About (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane

(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane (PubChem CID 98304426) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane
PubChem CID98304426
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane
SMILESCC(C)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H18O2S/c1-7(2)13(11,12)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyWGYVIEAFDYJBIC-OPRDCNLKSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4S)-2-(4-methylphenyl)sulfonylbicyclo[2.2.1]heptane
CID 102426584
bicyclo[3.2.1]octane-2-sulfonyl chloride
CID 165456077
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
CID 57358132
1-(2-bicyclo[2.2.1]heptanylsulfanyl)propane-2-sulfonate
CID 156663628
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
4-tert-butyl-2-propan-2-ylsulfonylcyclohexane-1-carbonitrile
CID 64691840
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 146135219

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane (CID 98304426) is (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane is CC(C)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane?
The InChIKey is WGYVIEAFDYJBIC-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H18O2S/c1-7(2)13(11,12)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane?
(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane has a molecular weight of 202.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane is sourced from PubChem (CID 98304426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).