(2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol

C20H28N2O2S — CID 69370829

IUPAC(2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol
SMILESCC(C)C[C@H](CO)N1CCN(S(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H28N2O2S/c1-16(2)14-18(15-23)21-10-12-22(13-11-21)25(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18,23H,10-15H2,1-2H3/t18-,25?/m1/s1
InChIKeyOGAZYNOMYXEBCN-YDONVPIESA-N
MW360.52 g/mol
LogP2.89
Rot. Bonds6

About (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol

(2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol (PubChem CID 69370829) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name(2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol
PubChem CID69370829
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name(2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol
SMILESCC(C)C[C@H](CO)N1CCN(S(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H28N2O2S/c1-16(2)14-18(15-23)21-10-12-22(13-11-21)25(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18,23H,10-15H2,1-2H3/t18-,25?/m1/s1
InChIKeyOGAZYNOMYXEBCN-YDONVPIESA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol (CID 69370829) is (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol is CC(C)C[C@H](CO)N1CCN(S(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol?
The InChIKey is OGAZYNOMYXEBCN-YDONVPIESA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-16(2)14-18(15-23)21-10-12-22(13-11-21)25(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18,23H,10-15H2,1-2H3/t18-,25?/m1/s1.
What are the key properties of (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol?
(2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol has a molecular weight of 360.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(4-naphthalen-1-ylsulfinylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 69370829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).