1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide

C15H25N3O3S — CID 119994792

IUPAC1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O3S/c1-21-15-5-2-4-14(12-15)13-22(19,20)17-6-3-9-18-10-7-16-8-11-18/h2,4-5,12,16-17H,3,6-11,13H2,1H3
InChIKeyNJRKWPPLRXEGFC-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.41
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide

1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 119994792) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID119994792
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O3S/c1-21-15-5-2-4-14(12-15)13-22(19,20)17-6-3-9-18-10-7-16-8-11-18/h2,4-5,12,16-17H,3,6-11,13H2,1H3
InChIKeyNJRKWPPLRXEGFC-UHFFFAOYSA-N
XLogP0.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
methyl 3-(2-piperazin-1-ylethylsulfamoylmethyl)benzoate
CID 119966716
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994383
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994618
1-[(3-methoxyphenyl)methylsulfonyl]-1,4-diazepane
CID 119963242
1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
CID 98035714
1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721422
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide (CID 119994792) is 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide is COc1cccc(CS(=O)(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is NJRKWPPLRXEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-21-15-5-2-4-14(12-15)13-22(19,20)17-6-3-9-18-10-7-16-8-11-18/h2,4-5,12,16-17H,3,6-11,13H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 119994792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).