3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide

C14H23N3O2S — CID 114503347

IUPAC3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H23N3O2S/c1-11-10-17(2)7-6-14(11)16-20(18,19)13-5-3-4-12(8-13)9-15/h3-5,8,11,14,16H,6-7,9-10,15H2,1-2H3
InChIKeyFMLCFNOSIQDUNJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.76
Rot. Bonds4

About 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide

3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 114503347) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
PubChem CID114503347
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H23N3O2S/c1-11-10-17(2)7-6-14(11)16-20(18,19)13-5-3-4-12(8-13)9-15/h3-5,8,11,14,16H,6-7,9-10,15H2,1-2H3
InChIKeyFMLCFNOSIQDUNJ-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
SB-258741
CID 9863250
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
4-Methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 141659835
N1-(1-Benzyl-4-piperidyl)-4-cyanobenzene-1-sulfonamide
CID 563196
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 825437
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
3-(fluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10108068
N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11196556

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide (CID 114503347) is 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is FMLCFNOSIQDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-10-17(2)7-6-14(11)16-20(18,19)13-5-3-4-12(8-13)9-15/h3-5,8,11,14,16H,6-7,9-10,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 114503347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).