3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide

C12H21N3O2S — CID 106386158

IUPAC3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCc2cc[nH]c2)C1
InChIInChI=1S/C12H21N3O2S/c1-10-5-11(2)9-15(8-10)18(16,17)14-7-12-3-4-13-6-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3
InChIKeyQGSUVLDPHZVZAG-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.33
Rot. Bonds4

About 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide

3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106386158) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106386158
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCc2cc[nH]c2)C1
InChIInChI=1S/C12H21N3O2S/c1-10-5-11(2)9-15(8-10)18(16,17)14-7-12-3-4-13-6-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3
InChIKeyQGSUVLDPHZVZAG-UHFFFAOYSA-N
XLogP1.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-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

Related Compounds

4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386114
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386243
(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 52529765
N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 51129646
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 79523252
(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
CID 95761653
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine
CID 79994455
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 48944709
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 95164617

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide (CID 106386158) is 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCc2cc[nH]c2)C1.
What is the InChIKey of 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is QGSUVLDPHZVZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-5-11(2)9-15(8-10)18(16,17)14-7-12-3-4-13-6-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106386158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).