4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide

C12H19ClN4O2S — CID 175661913

IUPAC4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cc2cncc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4O2S/c1-16(2)20(18,19)17-5-3-10(4-6-17)7-11-8-14-9-12(13)15-11/h8-10H,3-7H2,1-2H3
InChIKeyDKFNZXJZJSVFGU-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.19
Rot. Bonds4

About 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide

4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 175661913) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID175661913
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cc2cncc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4O2S/c1-16(2)20(18,19)17-5-3-10(4-6-17)7-11-8-14-9-12(13)15-11/h8-10H,3-7H2,1-2H3
InChIKeyDKFNZXJZJSVFGU-UHFFFAOYSA-N
XLogP1.19
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine
CID 147281471
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
N,N-dimethyl-4-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 95845148
5-[6-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133790
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
CID 110736099
4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 92638081
N,N-dimethyl-4-(3-methylimidazo[1,5-a]pyrazin-5-yl)piperidine-1-sulfonamide
CID 155983988

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 175661913) is 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Cc2cncc(Cl)n2)CC1.
What is the InChIKey of 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is DKFNZXJZJSVFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-16(2)20(18,19)17-5-3-10(4-6-17)7-11-8-14-9-12(13)15-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 175661913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).