N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide

C10H17NO3S — CID 171607633

IUPACN-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide
SMILESCNS(=O)(=O)C1CC2C3CCC(O3)C2C1
InChIInChI=1S/C10H17NO3S/c1-11-15(12,13)6-4-7-8(5-6)10-3-2-9(7)14-10/h6-11H,2-5H2,1H3
InChIKeyAXLORJURUKFVTB-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.49
Rot. Bonds2

About N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide

N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide (PubChem CID 171607633) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide
PubChem CID171607633
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide
SMILESCNS(=O)(=O)C1CC2C3CCC(O3)C2C1
InChIInChI=1S/C10H17NO3S/c1-11-15(12,13)6-4-7-8(5-6)10-3-2-9(7)14-10/h6-11H,2-5H2,1H3
InChIKeyAXLORJURUKFVTB-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide?
The IUPAC name of N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide (CID 171607633) is N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide.
What is the SMILES notation for N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide?
The canonical SMILES for N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide is CNS(=O)(=O)C1CC2C3CCC(O3)C2C1.
What is the InChIKey of N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide?
The InChIKey is AXLORJURUKFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-11-15(12,13)6-4-7-8(5-6)10-3-2-9(7)14-10/h6-11H,2-5H2,1H3.
What are the key properties of N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide?
N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-10-oxatricyclo[5.2.1.02,6]decane-4-sulfonamide is sourced from PubChem (CID 171607633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).