6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide

C9H17NO2S — CID 131036613

IUPAC6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide
SMILESCC1(C)C2CCC(S(N)(=O)=O)C1C2
InChIInChI=1S/C9H17NO2S/c1-9(2)6-3-4-8(7(9)5-6)13(10,11)12/h6-8H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyZLBKRNMJLKZDRM-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.10
Rot. Bonds1

About 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide

6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide (PubChem CID 131036613) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide.

Molecular Properties

Compound Name6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide
PubChem CID131036613
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide
SMILESCC1(C)C2CCC(S(N)(=O)=O)C1C2
InChIInChI=1S/C9H17NO2S/c1-9(2)6-3-4-8(7(9)5-6)13(10,11)12/h6-8H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyZLBKRNMJLKZDRM-UHFFFAOYSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide?
The IUPAC name of 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide (CID 131036613) is 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide.
What is the SMILES notation for 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide?
The canonical SMILES for 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide is CC1(C)C2CCC(S(N)(=O)=O)C1C2.
What is the InChIKey of 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide?
The InChIKey is ZLBKRNMJLKZDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2)6-3-4-8(7(9)5-6)13(10,11)12/h6-8H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide?
6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonamide is sourced from PubChem (CID 131036613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).