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

C16H23NO2S2 — CID 145385640

IUPAC(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
SMILESCC(C)CC1([C@@]2(N)SCC(c3ccccc3)S2)OCCO1
InChIInChI=1S/C16H23NO2S2/c1-12(2)10-15(18-8-9-19-15)16(17)20-11-14(21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11,17H2,1-2H3/t14?,16-/m1/s1
InChIKeyOMPDQTWHNCJILY-BZSJEYESSA-N
MW325.50 g/mol
LogP3.61
Rot. Bonds4

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

(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine (PubChem CID 145385640) has the molecular formula C16H23NO2S2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine.

Molecular Properties

Compound Name(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
PubChem CID145385640
Molecular FormulaC16H23NO2S2
Molecular Weight325.50 g/mol
Exact Mass325.12
IUPAC Name(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine
SMILESCC(C)CC1([C@@]2(N)SCC(c3ccccc3)S2)OCCO1
InChIInChI=1S/C16H23NO2S2/c1-12(2)10-15(18-8-9-19-15)16(17)20-11-14(21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11,17H2,1-2H3/t14?,16-/m1/s1
InChIKeyOMPDQTWHNCJILY-BZSJEYESSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-dithiolan-2-amine
CID 145385606
(2R)-2-[2-(2-methylsulfanylethyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385618
(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385647
tert-butyl 2-[2-[(2R)-2-amino-4-phenyl-1,3-dithiolan-2-yl]-1,3-dioxolan-2-yl]acetate
CID 145385655
(2R)-4-phenyl-2-(2-propan-2-yl-1,3-dioxolan-2-yl)-1,3-dithiolane-2-carboxamide
CID 145385656
(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine
CID 163573971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
The IUPAC name of (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine (CID 145385640) is (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine.
What is the SMILES notation for (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
The canonical SMILES for (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine is CC(C)CC1([C@@]2(N)SCC(c3ccccc3)S2)OCCO1.
What is the InChIKey of (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
The InChIKey is OMPDQTWHNCJILY-BZSJEYESSA-N. The full InChI is InChI=1S/C16H23NO2S2/c1-12(2)10-15(18-8-9-19-15)16(17)20-11-14(21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11,17H2,1-2H3/t14?,16-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine?
(2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine has a molecular weight of 325.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]-4-phenyl-1,3-dithiolan-2-amine is sourced from PubChem (CID 145385640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).