(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane

C9H19NS2 — CID 162979695

IUPAC(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCCC[C@@H]1N[C@H](C)S[C@H](C)S1
InChIInChI=1S/C9H19NS2/c1-4-5-6-9-10-7(2)11-8(3)12-9/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyZGCDSMJNRUXZGG-XHNCKOQMSA-N
MW205.39 g/mol
LogP3.26
Rot. Bonds3

About (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane

(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane (PubChem CID 162979695) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
PubChem CID162979695
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCCC[C@@H]1N[C@H](C)S[C@H](C)S1
InChIInChI=1S/C9H19NS2/c1-4-5-6-9-10-7(2)11-8(3)12-9/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyZGCDSMJNRUXZGG-XHNCKOQMSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane 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 (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
The IUPAC name of (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane (CID 162979695) is (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
The canonical SMILES for (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane is CCCC[C@@H]1N[C@H](C)S[C@H](C)S1.
What is the InChIKey of (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
The InChIKey is ZGCDSMJNRUXZGG-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H19NS2/c1-4-5-6-9-10-7(2)11-8(3)12-9/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane has a molecular weight of 205.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 162979695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).