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

C16H29N5O2S — CID 110113337

IUPAC3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(Cc2nccnc2N(C)C)C1
InChIInChI=1S/C16H29N5O2S/c1-5-20(6-2)24(22,23)21-11-7-8-14(13-21)12-15-16(19(3)4)18-10-9-17-15/h9-10,14H,5-8,11-13H2,1-4H3
InChIKeyPNWNLEIURTUUOO-UHFFFAOYSA-N
MW355.51 g/mol
LogP1.38
Rot. Bonds7

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

3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 110113337) has the molecular formula C16H29N5O2S and a molecular weight of 355.51 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
PubChem CID110113337
Molecular FormulaC16H29N5O2S
Molecular Weight355.51 g/mol
Exact Mass355.20
IUPAC Name3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(Cc2nccnc2N(C)C)C1
InChIInChI=1S/C16H29N5O2S/c1-5-20(6-2)24(22,23)21-11-7-8-14(13-21)12-15-16(19(3)4)18-10-9-17-15/h9-10,14H,5-8,11-13H2,1-4H3
InChIKeyPNWNLEIURTUUOO-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
CID 110113242
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
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124982567
3-(1-aminoethyl)-N,N-diethylpiperidine-1-sulfonamide
CID 63854361

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide (CID 110113337) is 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC(Cc2nccnc2N(C)C)C1.
What is the InChIKey of 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is PNWNLEIURTUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2S/c1-5-20(6-2)24(22,23)21-11-7-8-14(13-21)12-15-16(19(3)4)18-10-9-17-15/h9-10,14H,5-8,11-13H2,1-4H3.
What are the key properties of 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 355.51 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110113337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).