(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide

C14H25N5O2S — CID 125014655

IUPAC(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)c1nccnc1C[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C14H25N5O2S/c1-17(2)14-13(15-7-8-16-14)10-12-6-5-9-19(11-12)22(20,21)18(3)4/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m1/s1
InChIKeyWNZBMHSLLMCVBV-GFCCVEGCSA-N
MW327.45 g/mol
LogP0.60
Rot. Bonds5

About (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide

(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 125014655) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID125014655
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC Name(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)c1nccnc1C[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C14H25N5O2S/c1-17(2)14-13(15-7-8-16-14)10-12-6-5-9-19(11-12)22(20,21)18(3)4/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m1/s1
InChIKeyWNZBMHSLLMCVBV-GFCCVEGCSA-N
XLogP0.60
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110113337
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124976884
4-[3-[[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125009289
3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
CID 110113242
(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124947593
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
CID 124976343

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 125014655) is (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)c1nccnc1C[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WNZBMHSLLMCVBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-17(2)14-13(15-7-8-16-14)10-12-6-5-9-19(11-12)22(20,21)18(3)4/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 125014655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).