(1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C15H26N4O3S — CID 70764366

IUPAC(1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCCc1cc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)on1
InChIInChI=1S/C15H26N4O3S/c1-4-13-7-15(22-16-13)11-18-8-12-5-6-14(18)10-19(9-12)23(20,21)17(2)3/h7,12,14H,4-6,8-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyDAAUQYURPZVUQS-TZMCWYRMSA-N
MW342.47 g/mol
LogP0.94
Rot. Bonds5

About (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 70764366) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID70764366
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCCc1cc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)on1
InChIInChI=1S/C15H26N4O3S/c1-4-13-7-15(22-16-13)11-18-8-12-5-6-14(18)10-19(9-12)23(20,21)17(2)3/h7,12,14H,4-6,8-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyDAAUQYURPZVUQS-TZMCWYRMSA-N
XLogP0.94
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 70764366) is (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CCc1cc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)on1.
What is the InChIKey of (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is DAAUQYURPZVUQS-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-13-7-15(22-16-13)11-18-8-12-5-6-14(18)10-19(9-12)23(20,21)17(2)3/h7,12,14H,4-6,8-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 70764366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).