6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide

C13H20ClN3O2S — CID 103341441

IUPAC6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)N(C)C)cn2)CCC1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-10-9-17(7-6-12(10)14)13-5-4-11(8-15-13)20(18,19)16(2)3/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyYQNFFRUAFYIAKJ-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.79
Rot. Bonds3

About 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide

6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341441) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341441
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)N(C)C)cn2)CCC1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-10-9-17(7-6-12(10)14)13-5-4-11(8-15-13)20(18,19)16(2)3/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyYQNFFRUAFYIAKJ-UHFFFAOYSA-N
XLogP1.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
4-(4-bromo-3-methylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 114682728
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
4-chloro-3-methyl-1-[4-(trifluoromethylsulfonyl)phenyl]piperidine
CID 114682667
6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 97221231
4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
CID 103340906
6-(3-aminopyrazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341249

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide (CID 103341441) is 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide is CC1CN(c2ccc(S(=O)(=O)N(C)C)cn2)CCC1Cl.
What is the InChIKey of 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is YQNFFRUAFYIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-10-9-17(7-6-12(10)14)13-5-4-11(8-15-13)20(18,19)16(2)3/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).