(2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine

C24H28N2O4S2 — CID 139044107

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=CC[C@H]2[C@@H]2CC=CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O4S2/c1-19-9-13-21(14-10-19)31(27,28)25-17-5-3-7-23(25)24-8-4-6-18-26(24)32(29,30)22-15-11-20(2)12-16-22/h3-6,9-16,23-24H,7-8,17-18H2,1-2H3/t23-,24-/m0/s1
InChIKeyNXFSEABBORCGNX-ZEQRLZLVSA-N
MW472.63 g/mol
LogP3.64
Rot. Bonds5

About (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine

(2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine (PubChem CID 139044107) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine
PubChem CID139044107
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=CC[C@H]2[C@@H]2CC=CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O4S2/c1-19-9-13-21(14-10-19)31(27,28)25-17-5-3-7-23(25)24-8-4-6-18-26(24)32(29,30)22-15-11-20(2)12-16-22/h3-6,9-16,23-24H,7-8,17-18H2,1-2H3/t23-,24-/m0/s1
InChIKeyNXFSEABBORCGNX-ZEQRLZLVSA-N
XLogP3.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclotriazadisulfonamide
CID 466371
4-Methyl-N,N-bis(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide
CID 316685
1,3-Bis-(4-methylphenyl)sulfonylimidazolidine
CID 1354623
N,N'-Ethylenebis(N-methyl-P-toluenesulfonamide)
CID 228118
1H-1,4,7-Triazonine, octahydro-1,4,7-tris((4-methylphenyl)sulfonyl)-
CID 564157
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
N,N'-1,2-propanediylbis(4-methylbenzenesulfonamide)
CID 2932603
(E)-1-(4-ethylphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193006
(E)-4-phenyl-1-tosyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193007
(E)-5-phenyl-1-tosyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193145
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine (CID 139044107) is (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=CC[C@H]2[C@@H]2CC=CCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is NXFSEABBORCGNX-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-19-9-13-21(14-10-19)31(27,28)25-17-5-3-7-23(25)24-8-4-6-18-26(24)32(29,30)22-15-11-20(2)12-16-22/h3-6,9-16,23-24H,7-8,17-18H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine?
(2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 472.63 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-2-[(2S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139044107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).