N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide

C18H27N3O3S — CID 91786157

IUPACN-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CC(N3CCCCC3)C2)cc1
InChIInChI=1S/C18H27N3O3S/c1-19-25(23,24)17-8-5-15(6-9-17)7-10-18(22)21-13-16(14-21)20-11-3-2-4-12-20/h5-6,8-9,16,19H,2-4,7,10-14H2,1H3
InChIKeyOCBXPQNKRQFBMX-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.22
Rot. Bonds6

About N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide

N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide (PubChem CID 91786157) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
PubChem CID91786157
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CC(N3CCCCC3)C2)cc1
InChIInChI=1S/C18H27N3O3S/c1-19-25(23,24)17-8-5-15(6-9-17)7-10-18(22)21-13-16(14-21)20-11-3-2-4-12-20/h5-6,8-9,16,19H,2-4,7,10-14H2,1H3
InChIKeyOCBXPQNKRQFBMX-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
CID 70730426
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 55901390
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
4-[3-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-3-oxopropyl]-N-methylbenzenesulfonamide
CID 110063764
1-[3-(methylamino)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 119489331
N-methyl-4-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 42572717
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide (CID 91786157) is N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2CC(N3CCCCC3)C2)cc1.
What is the InChIKey of N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is OCBXPQNKRQFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19-25(23,24)17-8-5-15(6-9-17)7-10-18(22)21-13-16(14-21)20-11-3-2-4-12-20/h5-6,8-9,16,19H,2-4,7,10-14H2,1H3.
What are the key properties of N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide?
N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 91786157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).