N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide

C15H20N2O3S — CID 51088688

IUPACN-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CC2CCC1C2
InChIInChI=1S/C15H20N2O3S/c18-15(17-11-12-6-7-13(17)10-12)8-9-16-21(19,20)14-4-2-1-3-5-14/h1-5,12-13,16H,6-11H2
InChIKeyBIASJVHQWMIIGP-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.37
Rot. Bonds5

About N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide

N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 51088688) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID51088688
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CC2CCC1C2
InChIInChI=1S/C15H20N2O3S/c18-15(17-11-12-6-7-13(17)10-12)8-9-16-21(19,20)14-4-2-1-3-5-14/h1-5,12-13,16H,6-11H2
InChIKeyBIASJVHQWMIIGP-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122114835
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94694763
2-[3-(benzenesulfonamido)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120521015
N-[3-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]benzenesulfonamide
CID 66939642
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
N-[3-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]-2,6-difluorobenzenesulfonamide
CID 90591387
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
4-tert-butyl-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
CID 122255307
N-(2-aminoethyl)-1-[3-(benzenesulfonamido)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481380

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide (CID 51088688) is N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CC2CCC1C2.
What is the InChIKey of N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is BIASJVHQWMIIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(17-11-12-6-7-13(17)10-12)8-9-16-21(19,20)14-4-2-1-3-5-14/h1-5,12-13,16H,6-11H2.
What are the key properties of N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide?
N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 51088688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).