N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide

C19H23N5O2S — CID 121110017

IUPACN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)c1
InChIInChI=1S/C19H23N5O2S/c1-14-3-4-15(2)18(11-14)27(25,26)23-13-16-5-9-24(10-6-16)19-17(12-20)21-7-8-22-19/h3-4,7-8,11,16,23H,5-6,9-10,13H2,1-2H3
InChIKeyFYBTZOCJGQPQTP-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.16
Rot. Bonds5

About N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide

N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 121110017) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID121110017
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)c1
InChIInChI=1S/C19H23N5O2S/c1-14-3-4-15(2)18(11-14)27(25,26)23-13-16-5-9-24(10-6-16)19-17(12-20)21-7-8-22-19/h3-4,7-8,11,16,23H,5-6,9-10,13H2,1-2H3
InChIKeyFYBTZOCJGQPQTP-UHFFFAOYSA-N
XLogP2.16
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 121110073
4-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121110071
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121109874
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 72716897
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337322
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide (CID 121110017) is N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)c1.
What is the InChIKey of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is FYBTZOCJGQPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-3-4-15(2)18(11-14)27(25,26)23-13-16-5-9-24(10-6-16)19-17(12-20)21-7-8-22-19/h3-4,7-8,11,16,23H,5-6,9-10,13H2,1-2H3.
What are the key properties of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 121110017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).