1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine

C23H32N4O2S — CID 109389500

IUPAC1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine
SMILESC/N=C(/NCC(Cc1ccccc1)c1ccccc1)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C23H32N4O2S/c1-24-23(26-18-22-14-9-15-27(22)30(2,28)29)25-17-21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,21-22H,9,14-18H2,1-2H3,(H2,24,25,26)/t21?,22-/m1/s1
InChIKeyCBDDHOBUARSIML-FOIFJWKZSA-N
MW428.60 g/mol
LogP2.60
Rot. Bonds8

About 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine

1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine (PubChem CID 109389500) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine
PubChem CID109389500
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine
SMILESC/N=C(/NCC(Cc1ccccc1)c1ccccc1)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C23H32N4O2S/c1-24-23(26-18-22-14-9-15-27(22)30(2,28)29)25-17-21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,21-22H,9,14-18H2,1-2H3,(H2,24,25,26)/t21?,22-/m1/s1
InChIKeyCBDDHOBUARSIML-FOIFJWKZSA-N
XLogP2.60
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine 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

1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]guanidine
CID 109408601
1-(3-hydroxy-2-phenylpropyl)-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 109408737
1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
CID 109389814
1-(2,3-diphenylpropyl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109389587
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 109410023
1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 109389328
1-[2-(dimethylamino)-2-phenylethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 111260529
1-(2,3-diphenylpropyl)-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 109389699
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109410532
1-[2-(dimethylamino)-2-phenylethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111260528
1-(2,3-diphenylpropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109389332
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 109389807

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine?
The IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine (CID 109389500) is 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine?
The canonical SMILES for 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine is C/N=C(/NCC(Cc1ccccc1)c1ccccc1)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine?
The InChIKey is CBDDHOBUARSIML-FOIFJWKZSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-24-23(26-18-22-14-9-15-27(22)30(2,28)29)25-17-21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,21-22H,9,14-18H2,1-2H3,(H2,24,25,26)/t21?,22-/m1/s1.
What are the key properties of 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine?
1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine has a molecular weight of 428.60 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine is sourced from PubChem (CID 109389500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).