(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine

C19H21NO2S2 — CID 145385606

IUPAC(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine
SMILESN[C@@]1(C2(Cc3ccccc3)OCCO2)SCC(c2ccccc2)S1
InChIInChI=1S/C19H21NO2S2/c20-19(23-14-17(24-19)16-9-5-2-6-10-16)18(21-11-12-22-18)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17?,19-/m0/s1
InChIKeyMHBUNFWCRWPHIB-NNBQYGFHSA-N
MW359.52 g/mol
LogP3.81
Rot. Bonds4

About (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine

(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine (PubChem CID 145385606) has the molecular formula C19H21NO2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine.

Molecular Properties

Compound Name(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine
PubChem CID145385606
Molecular FormulaC19H21NO2S2
Molecular Weight359.52 g/mol
Exact Mass359.10
IUPAC Name(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine
SMILESN[C@@]1(C2(Cc3ccccc3)OCCO2)SCC(c2ccccc2)S1
InChIInChI=1S/C19H21NO2S2/c20-19(23-14-17(24-19)16-9-5-2-6-10-16)18(21-11-12-22-18)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17?,19-/m0/s1
InChIKeyMHBUNFWCRWPHIB-NNBQYGFHSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine 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

(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
CID 145385591
(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385609
(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
CID 145385640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine?
The IUPAC name of (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine (CID 145385606) is (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine.
What is the SMILES notation for (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine?
The canonical SMILES for (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine is N[C@@]1(C2(Cc3ccccc3)OCCO2)SCC(c2ccccc2)S1.
What is the InChIKey of (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine?
The InChIKey is MHBUNFWCRWPHIB-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H21NO2S2/c20-19(23-14-17(24-19)16-9-5-2-6-10-16)18(21-11-12-22-18)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17?,19-/m0/s1.
What are the key properties of (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine?
(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine has a molecular weight of 359.52 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine is sourced from PubChem (CID 145385606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).