4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide

C14H23N3O2S — CID 62655230

IUPAC4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
SMILESCN1CCCC(CNCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-17-8-2-3-13(11-17)10-16-9-12-4-6-14(7-5-12)20(15,18)19/h4-7,13,16H,2-3,8-11H2,1H3,(H2,15,18,19)
InChIKeyOOIAYTMQILDDPH-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.77
Rot. Bonds5

About 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide

4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 62655230) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
PubChem CID62655230
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
SMILESCN1CCCC(CNCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-17-8-2-3-13(11-17)10-16-9-12-4-6-14(7-5-12)20(15,18)19/h4-7,13,16H,2-3,8-11H2,1H3,(H2,15,18,19)
InChIKeyOOIAYTMQILDDPH-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77032157
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
2-[4-[[(1-methylpiperidin-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103244431
4-amino-3-[(1-methylpiperidin-3-yl)methylamino]benzenesulfonamide
CID 82907550
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
CID 62657533
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
N-[[4-(chloromethyl)phenyl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 107232938
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 97094405
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide (CID 62655230) is 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide is CN1CCCC(CNCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is OOIAYTMQILDDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17-8-2-3-13(11-17)10-16-9-12-4-6-14(7-5-12)20(15,18)19/h4-7,13,16H,2-3,8-11H2,1H3,(H2,15,18,19).
What are the key properties of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide?
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 62655230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).