3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide

C15H22N2O4S2 — CID 71808997

IUPAC3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H22N2O4S2/c1-16(2)23(20,21)17-12-8-9-13(17)11-15(10-12)22(18,19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyDBVIGTPCPCYFFO-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.26
Rot. Bonds4

About 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide

3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide (PubChem CID 71808997) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide
PubChem CID71808997
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H22N2O4S2/c1-16(2)23(20,21)17-12-8-9-13(17)11-15(10-12)22(18,19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyDBVIGTPCPCYFFO-UHFFFAOYSA-N
XLogP1.26
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide (CID 71808997) is 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide is CN(C)S(=O)(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
The InChIKey is DBVIGTPCPCYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-16(2)23(20,21)17-12-8-9-13(17)11-15(10-12)22(18,19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide has a molecular weight of 358.49 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-sulfonamide is sourced from PubChem (CID 71808997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).