N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide

C16H23N3O2S — CID 134957986

IUPACN-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC[C@H](C3CCCC3)NC2)cc1
InChIInChI=1S/C16H23N3O2S/c1-12-6-8-14(9-7-12)22(20,21)19-16-11-17-15(10-18-16)13-4-2-3-5-13/h6-9,13,15,17H,2-5,10-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyQKBKZIFTMLUQLE-OAHLLOKOSA-N
MW321.45 g/mol
LogP1.83
Rot. Bonds3

About N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide

N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide (PubChem CID 134957986) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
PubChem CID134957986
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC[C@H](C3CCCC3)NC2)cc1
InChIInChI=1S/C16H23N3O2S/c1-12-6-8-14(9-7-12)22(20,21)19-16-11-17-15(10-18-16)13-4-2-3-5-13/h6-9,13,15,17H,2-5,10-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyQKBKZIFTMLUQLE-OAHLLOKOSA-N
XLogP1.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide 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-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 132533990
CID 89209993
CID 89209993
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995
4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 3899892
4-methyl-N-[(2S)-3-methyl-1-[[(1S,2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]amino]cyclohexyl]amino]butan-2-yl]benzenesulfonamide
CID 11650072
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 7339714
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide (CID 134957986) is N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NC[C@H](C3CCCC3)NC2)cc1.
What is the InChIKey of N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is QKBKZIFTMLUQLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-6-8-14(9-7-12)22(20,21)19-16-11-17-15(10-18-16)13-4-2-3-5-13/h6-9,13,15,17H,2-5,10-11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134957986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).