(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C16H23N3O3S — CID 70751859

IUPAC(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2
InChIInChI=1S/C16H23N3O3S/c1-17(10-13-6-4-3-5-7-13)23(21,22)19-11-14-8-9-15(12-19)18(2)16(14)20/h3-7,14-15H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyOGXHBTSYFHZNNM-LSDHHAIUSA-N
MW337.44 g/mol
LogP0.92
Rot. Bonds4

About (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 70751859) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID70751859
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2
InChIInChI=1S/C16H23N3O3S/c1-17(10-13-6-4-3-5-7-13)23(21,22)19-11-14-8-9-15(12-19)18(2)16(14)20/h3-7,14-15H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyOGXHBTSYFHZNNM-LSDHHAIUSA-N
XLogP0.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide with MolForge

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Related Compounds

(1S,5S)-N-benzyl-N-methyl-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133128916
(1R,5S)-6-methyl-3-(4-phenylphenyl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133133931
3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
CID 156605285
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
(3R,4S)-N-benzyl-3-(dimethylamino)-N-methyl-4-propan-2-ylpyrrolidine-1-sulfonamide
CID 164629694
4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
CID 63594648
(4S,9aR)-N-benzyl-N-methyl-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-sulfonamide;hydrochloride
CID 155938413
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 97151933
N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 70780194
(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 97129265
N-benzyl-3a-(hydroxymethyl)-N-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
CID 137337028
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 70751859) is (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2.
What is the InChIKey of (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is OGXHBTSYFHZNNM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-17(10-13-6-4-3-5-7-13)23(21,22)19-11-14-8-9-15(12-19)18(2)16(14)20/h3-7,14-15H,8-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 70751859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).