5-propan-2-yl-1,3,5-dithiazinane

C6H13NS2 — CID 3529636

IUPAC5-propan-2-yl-1,3,5-dithiazinane
SMILESCC(C)N1CSCSC1
InChIInChI=1S/C6H13NS2/c1-6(2)7-3-8-5-9-4-7/h6H,3-5H2,1-2H3
InChIKeyOBCQNGGOSQKNDR-UHFFFAOYSA-N
MW163.31 g/mol
LogP2.05
Rot. Bonds1

About 5-propan-2-yl-1,3,5-dithiazinane

5-propan-2-yl-1,3,5-dithiazinane (PubChem CID 3529636) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is 5-propan-2-yl-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-propan-2-yl-1,3,5-dithiazinane
PubChem CID3529636
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name5-propan-2-yl-1,3,5-dithiazinane
SMILESCC(C)N1CSCSC1
InChIInChI=1S/C6H13NS2/c1-6(2)7-3-8-5-9-4-7/h6H,3-5H2,1-2H3
InChIKeyOBCQNGGOSQKNDR-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3,5-dithiazinane?
The IUPAC name of 5-propan-2-yl-1,3,5-dithiazinane (CID 3529636) is 5-propan-2-yl-1,3,5-dithiazinane.
What is the SMILES notation for 5-propan-2-yl-1,3,5-dithiazinane?
The canonical SMILES for 5-propan-2-yl-1,3,5-dithiazinane is CC(C)N1CSCSC1.
What is the InChIKey of 5-propan-2-yl-1,3,5-dithiazinane?
The InChIKey is OBCQNGGOSQKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS2/c1-6(2)7-3-8-5-9-4-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3,5-dithiazinane?
5-propan-2-yl-1,3,5-dithiazinane has a molecular weight of 163.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3,5-dithiazinane is sourced from PubChem (CID 3529636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).