N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

C11H17ClN4O2S — CID 113456916

IUPACN-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)Nc2cncc(Cl)n2)C1
InChIInChI=1S/C11H17ClN4O2S/c1-8-3-9(2)7-16(6-8)19(17,18)15-11-5-13-4-10(12)14-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNJQWFFATCYPKLD-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.76
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 113456916) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID113456916
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC NameN-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)Nc2cncc(Cl)n2)C1
InChIInChI=1S/C11H17ClN4O2S/c1-8-3-9(2)7-16(6-8)19(17,18)15-11-5-13-4-10(12)14-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNJQWFFATCYPKLD-UHFFFAOYSA-N
XLogP1.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528474
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
6-chloro-N-methylpyrazin-2-amine
CID 26967011
N-(6-chloropyrazin-2-yl)butane-1-sulfonamide
CID 104821133
N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 107596042
2-(6-chloropyrazin-2-yl)-1,1-dimethylhydrazine
CID 83020356
5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361340
5-chloro-N-(6-chloropyrazin-2-yl)-4-methylthiophene-2-sulfonamide
CID 103100875
N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113456930
2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (CID 113456916) is N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)Nc2cncc(Cl)n2)C1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is NJQWFFATCYPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c1-8-3-9(2)7-16(6-8)19(17,18)15-11-5-13-4-10(12)14-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 113456916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).