(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine

C16H23NOS2 — CID 163573971

IUPAC(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine
SMILESCC(C)C1([C@@]2(N)SCC(c3ccccc3)S2)CCCO1
InChIInChI=1S/C16H23NOS2/c1-12(2)15(9-6-10-18-15)16(17)19-11-14(20-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,17H2,1-2H3/t14?,15?,16-/m1/s1
InChIKeyGBUUYIZRYVLYFU-UYSNPLJNSA-N
MW309.50 g/mol
LogP4.03
Rot. Bonds3

About (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine

(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine (PubChem CID 163573971) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine.

Molecular Properties

Compound Name(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine
PubChem CID163573971
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine
SMILESCC(C)C1([C@@]2(N)SCC(c3ccccc3)S2)CCCO1
InChIInChI=1S/C16H23NOS2/c1-12(2)15(9-6-10-18-15)16(17)19-11-14(20-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,17H2,1-2H3/t14?,15?,16-/m1/s1
InChIKeyGBUUYIZRYVLYFU-UYSNPLJNSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine?
The IUPAC name of (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine (CID 163573971) is (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine.
What is the SMILES notation for (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine?
The canonical SMILES for (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine is CC(C)C1([C@@]2(N)SCC(c3ccccc3)S2)CCCO1.
What is the InChIKey of (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine?
The InChIKey is GBUUYIZRYVLYFU-UYSNPLJNSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-12(2)15(9-6-10-18-15)16(17)19-11-14(20-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,17H2,1-2H3/t14?,15?,16-/m1/s1.
What are the key properties of (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine?
(2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine has a molecular weight of 309.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-phenyl-2-(2-propan-2-yloxolan-2-yl)-1,3-dithiolan-2-amine is sourced from PubChem (CID 163573971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).