N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide

C18H27N3O3S — CID 70730426

IUPACN-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3)cc1
InChIInChI=1S/C18H27N3O3S/c1-19-25(23,24)17-8-4-14(5-9-17)6-10-18(22)21-12-15-3-7-16(13-21)20(2)11-15/h4-5,8-9,15-16,19H,3,6-7,10-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyGQNDXJQFFLJMPG-HZPDHXFCSA-N
MW365.50 g/mol
LogP1.08
Rot. Bonds5

About N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide

N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 70730426) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID70730426
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3)cc1
InChIInChI=1S/C18H27N3O3S/c1-19-25(23,24)17-8-4-14(5-9-17)6-10-18(22)21-12-15-3-7-16(13-21)20(2)11-15/h4-5,8-9,15-16,19H,3,6-7,10-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyGQNDXJQFFLJMPG-HZPDHXFCSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide 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

N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
CID 91786157
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 55901390
N-methyl-4-[3-[(1R,14S)-17-methyl-3,11,17-triazatricyclo[12.2.1.05,10]heptadeca-5,7,9-trien-3-yl]-3-oxopropyl]benzenesulfonamide
CID 110075355
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
3-(4-methylsulfonylphenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124891232
2-(4-methylsulfonylphenyl)-1-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 70774655
3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide
CID 51079061
N-methyl-4-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 42572717

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide (CID 70730426) is N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3)cc1.
What is the InChIKey of N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is GQNDXJQFFLJMPG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19-25(23,24)17-8-4-14(5-9-17)6-10-18(22)21-12-15-3-7-16(13-21)20(2)11-15/h4-5,8-9,15-16,19H,3,6-7,10-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide?
N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 70730426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).