(2R,3R)-2,3-diethyl-1,4-dithian-2-amine

C8H17NS2 — CID 100927394

IUPAC(2R,3R)-2,3-diethyl-1,4-dithian-2-amine
SMILESCC[C@H]1SCCS[C@]1(N)CC
InChIInChI=1S/C8H17NS2/c1-3-7-8(9,4-2)11-6-5-10-7/h7H,3-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyIRGFBHBHRHGBCS-HTQZYQBOSA-N
MW191.36 g/mol
LogP2.31
Rot. Bonds2

About (2R,3R)-2,3-diethyl-1,4-dithian-2-amine

(2R,3R)-2,3-diethyl-1,4-dithian-2-amine (PubChem CID 100927394) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is (2R,3R)-2,3-diethyl-1,4-dithian-2-amine.

Molecular Properties

Compound Name(2R,3R)-2,3-diethyl-1,4-dithian-2-amine
PubChem CID100927394
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name(2R,3R)-2,3-diethyl-1,4-dithian-2-amine
SMILESCC[C@H]1SCCS[C@]1(N)CC
InChIInChI=1S/C8H17NS2/c1-3-7-8(9,4-2)11-6-5-10-7/h7H,3-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyIRGFBHBHRHGBCS-HTQZYQBOSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2,3-diethyl-1,4-dithian-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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diethyl-1,4-dithian-2-amine?
The IUPAC name of (2R,3R)-2,3-diethyl-1,4-dithian-2-amine (CID 100927394) is (2R,3R)-2,3-diethyl-1,4-dithian-2-amine.
What is the SMILES notation for (2R,3R)-2,3-diethyl-1,4-dithian-2-amine?
The canonical SMILES for (2R,3R)-2,3-diethyl-1,4-dithian-2-amine is CC[C@H]1SCCS[C@]1(N)CC.
What is the InChIKey of (2R,3R)-2,3-diethyl-1,4-dithian-2-amine?
The InChIKey is IRGFBHBHRHGBCS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NS2/c1-3-7-8(9,4-2)11-6-5-10-7/h7H,3-6,9H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2,3-diethyl-1,4-dithian-2-amine?
(2R,3R)-2,3-diethyl-1,4-dithian-2-amine has a molecular weight of 191.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diethyl-1,4-dithian-2-amine is sourced from PubChem (CID 100927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).