N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide

C13H21N3O2S — CID 43606208

IUPACN-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H21N3O2S/c1-14-11-12-6-5-7-13(10-12)15-19(17,18)16-8-3-2-4-9-16/h5-7,10,14-15H,2-4,8-9,11H2,1H3
InChIKeyVIBVBDIMVACYKT-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.55
Rot. Bonds5

About N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide

N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide (PubChem CID 43606208) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
PubChem CID43606208
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H21N3O2S/c1-14-11-12-6-5-7-13(10-12)15-19(17,18)16-8-3-2-4-9-16/h5-7,10,14-15H,2-4,8-9,11H2,1H3
InChIKeyVIBVBDIMVACYKT-UHFFFAOYSA-N
XLogP1.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606211
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-(3-formylphenyl)piperidine-1-sulfonamide
CID 106913023
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(3-formylphenyl)pyrrolidine-1-sulfonamide
CID 106912985
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
CID 62303926
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide (CID 43606208) is N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide is CNCc1cccc(NS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
The InChIKey is VIBVBDIMVACYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-11-12-6-5-7-13(10-12)15-19(17,18)16-8-3-2-4-9-16/h5-7,10,14-15H,2-4,8-9,11H2,1H3.
What are the key properties of N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43606208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).