3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide

C15H25N3O2S — CID 60859792

IUPAC3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide
SMILESCC(NCc1cccc(S(N)(=O)=O)c1)C1CCCN(C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(14-6-4-8-18(2)11-14)17-10-13-5-3-7-15(9-13)21(16,19)20/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H2,16,19,20)
InChIKeyJEFILHNHVCAQSV-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.15
Rot. Bonds5

About 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide

3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide (PubChem CID 60859792) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide
PubChem CID60859792
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide
SMILESCC(NCc1cccc(S(N)(=O)=O)c1)C1CCCN(C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(14-6-4-8-18(2)11-14)17-10-13-5-3-7-15(9-13)21(16,19)20/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H2,16,19,20)
InChIKeyJEFILHNHVCAQSV-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308668
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43307908
N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
CID 43308440
3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
CID 60857993
(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide
CID 124885026
1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 62323527
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
CID 62982169
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82881755

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide (CID 60859792) is 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide is CC(NCc1cccc(S(N)(=O)=O)c1)C1CCCN(C)C1.
What is the InChIKey of 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide?
The InChIKey is JEFILHNHVCAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(14-6-4-8-18(2)11-14)17-10-13-5-3-7-15(9-13)21(16,19)20/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H2,16,19,20).
What are the key properties of 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide?
3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60859792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).