(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine

C17H23NO4S2 — CID 145385591

IUPAC(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
SMILESN[C@]1(C2(CCC3OCCO3)OCCO2)SCC(c2ccccc2)S1
InChIInChI=1S/C17H23NO4S2/c18-17(23-12-14(24-17)13-4-2-1-3-5-13)16(21-10-11-22-16)7-6-15-19-8-9-20-15/h1-5,14-15H,6-12,18H2/t14?,17-/m1/s1
InChIKeySSONEHPTFQJIFK-FBMWCMRBSA-N
MW369.51 g/mol
LogP2.72
Rot. Bonds5

About (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine

(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine (PubChem CID 145385591) has the molecular formula C17H23NO4S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine.

Molecular Properties

Compound Name(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
PubChem CID145385591
Molecular FormulaC17H23NO4S2
Molecular Weight369.51 g/mol
Exact Mass369.11
IUPAC Name(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
SMILESN[C@]1(C2(CCC3OCCO3)OCCO2)SCC(c2ccccc2)S1
InChIInChI=1S/C17H23NO4S2/c18-17(23-12-14(24-17)13-4-2-1-3-5-13)16(21-10-11-22-16)7-6-15-19-8-9-20-15/h1-5,14-15H,6-12,18H2/t14?,17-/m1/s1
InChIKeySSONEHPTFQJIFK-FBMWCMRBSA-N
XLogP2.72
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolan-2-amine
CID 145385606
(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 (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
The IUPAC name of (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine (CID 145385591) is (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine.
What is the SMILES notation for (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
The canonical SMILES for (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine is N[C@]1(C2(CCC3OCCO3)OCCO2)SCC(c2ccccc2)S1.
What is the InChIKey of (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
The InChIKey is SSONEHPTFQJIFK-FBMWCMRBSA-N. The full InChI is InChI=1S/C17H23NO4S2/c18-17(23-12-14(24-17)13-4-2-1-3-5-13)16(21-10-11-22-16)7-6-15-19-8-9-20-15/h1-5,14-15H,6-12,18H2/t14?,17-/m1/s1.
What are the key properties of (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
(2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine has a molecular weight of 369.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine is sourced from PubChem (CID 145385591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).