5-(3-methylbutyl)-1,3,5-dithiazinane

C8H17NS2 — CID 99938018

IUPAC5-(3-methylbutyl)-1,3,5-dithiazinane
SMILESCC(C)CCN1CSCSC1
InChIInChI=1S/C8H17NS2/c1-8(2)3-4-9-5-10-7-11-6-9/h8H,3-7H2,1-2H3
InChIKeyYXXRCRJGTFFCKW-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.69
Rot. Bonds3

About 5-(3-methylbutyl)-1,3,5-dithiazinane

5-(3-methylbutyl)-1,3,5-dithiazinane (PubChem CID 99938018) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-(3-methylbutyl)-1,3,5-dithiazinane
PubChem CID99938018
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name5-(3-methylbutyl)-1,3,5-dithiazinane
SMILESCC(C)CCN1CSCSC1
InChIInChI=1S/C8H17NS2/c1-8(2)3-4-9-5-10-7-11-6-9/h8H,3-7H2,1-2H3
InChIKeyYXXRCRJGTFFCKW-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-methylbutyl)-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

Related Compounds

5-Butyl-1,3,5-dithiazinane
CID 15253873
5-(2-Methylpropyl)-1,3,5-dithiazinane
CID 15253874
5-Pentyl-1,3,5-dithiazinane
CID 88499423

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-1,3,5-dithiazinane?
The IUPAC name of 5-(3-methylbutyl)-1,3,5-dithiazinane (CID 99938018) is 5-(3-methylbutyl)-1,3,5-dithiazinane.
What is the SMILES notation for 5-(3-methylbutyl)-1,3,5-dithiazinane?
The canonical SMILES for 5-(3-methylbutyl)-1,3,5-dithiazinane is CC(C)CCN1CSCSC1.
What is the InChIKey of 5-(3-methylbutyl)-1,3,5-dithiazinane?
The InChIKey is YXXRCRJGTFFCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-8(2)3-4-9-5-10-7-11-6-9/h8H,3-7H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-1,3,5-dithiazinane?
5-(3-methylbutyl)-1,3,5-dithiazinane has a molecular weight of 191.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-1,3,5-dithiazinane is sourced from PubChem (CID 99938018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).