2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C20H28N4O2S — CID 121108326

IUPAC2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)c1C
InChIInChI=1S/C20H28N4O2S/c1-14-11-15(2)17(4)20(16(14)3)27(25,26)23-12-18-5-9-24(10-6-18)19-13-21-7-8-22-19/h7-8,11,13,18,23H,5-6,9-10,12H2,1-4H3
InChIKeyPMIYDKWWCGMROL-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.91
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 121108326) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID121108326
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)c1C
InChIInChI=1S/C20H28N4O2S/c1-14-11-15(2)17(4)20(16(14)3)27(25,26)23-12-18-5-9-24(10-6-18)19-13-21-7-8-22-19/h7-8,11,13,18,23H,5-6,9-10,12H2,1-4H3
InChIKeyPMIYDKWWCGMROL-UHFFFAOYSA-N
XLogP2.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108339
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108282
2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108343
5-ethyl-2-methoxy-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108330
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71786437
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
CID 52858023
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 121108326) is 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is PMIYDKWWCGMROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14-11-15(2)17(4)20(16(14)3)27(25,26)23-12-18-5-9-24(10-6-18)19-13-21-7-8-22-19/h7-8,11,13,18,23H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 388.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121108326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).