(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C16H22ClN3O3S — CID 72930159

IUPAC(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1ccccc1Cl)C2
InChIInChI=1S/C16H22ClN3O3S/c1-18(2)16(21)19-9-12-7-8-13(11-19)20(10-12)24(22,23)15-6-4-3-5-14(15)17/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyPZPXRZLIUHRNLI-QWHCGFSZSA-N
MW371.89 g/mol
LogP2.11
Rot. Bonds2

About (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 72930159) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID72930159
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1ccccc1Cl)C2
InChIInChI=1S/C16H22ClN3O3S/c1-18(2)16(21)19-9-12-7-8-13(11-19)20(10-12)24(22,23)15-6-4-3-5-14(15)17/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyPZPXRZLIUHRNLI-QWHCGFSZSA-N
XLogP2.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-cyclobutylmethanone
CID 156603157
[(1R,5S)-6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 133126975
8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 129269387
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
(1R,5R)-6-benzyl-N-methyl-N-phenyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 70783270
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
(1R,5R)-N,N-dimethyl-6-(1-oxo-2H-isoquinoline-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72918973
(1R,5R)-N,N-dimethyl-6-(quinolin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72858014
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
(1R,5R)-N,N-dimethyl-6-(2-pyridin-2-ylsulfanylacetyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72852612
[(1R,5S)-6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 133138684

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 72930159) is (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1ccccc1Cl)C2.
What is the InChIKey of (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is PZPXRZLIUHRNLI-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-18(2)16(21)19-9-12-7-8-13(11-19)20(10-12)24(22,23)15-6-4-3-5-14(15)17/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 72930159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).