N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide

C16H23N3O2S — CID 51129646

IUPACN-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H23N3O2S/c1-12-7-13(2)11-19(10-12)22(20,21)17-9-15-8-14-5-3-4-6-16(14)18-15/h3-6,8,12-13,17-18H,7,9-11H2,1-2H3
InChIKeyCJKYCIDWWMGKGQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.48
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide

N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 51129646) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID51129646
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H23N3O2S/c1-12-7-13(2)11-19(10-12)22(20,21)17-9-15-8-14-5-3-4-6-16(14)18-15/h3-6,8,12-13,17-18H,7,9-11H2,1-2H3
InChIKeyCJKYCIDWWMGKGQ-UHFFFAOYSA-N
XLogP2.48
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide (CID 51129646) is N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCc2cc3ccccc3[nH]2)C1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is CJKYCIDWWMGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-7-13(2)11-19(10-12)22(20,21)17-9-15-8-14-5-3-4-6-16(14)18-15/h3-6,8,12-13,17-18H,7,9-11H2,1-2H3.
What are the key properties of N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 51129646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).