5-(2-methylpropyl)-1,3,5-dithiazinane

C7H15NS2 — CID 15253874

IUPAC5-(2-methylpropyl)-1,3,5-dithiazinane
SMILESCC(C)CN1CSCSC1
InChIInChI=1S/C7H15NS2/c1-7(2)3-8-4-9-6-10-5-8/h7H,3-6H2,1-2H3
InChIKeySERDZSWRBRKKAS-UHFFFAOYSA-N
MW177.34 g/mol
LogP2.30
Rot. Bonds2

About 5-(2-methylpropyl)-1,3,5-dithiazinane

5-(2-methylpropyl)-1,3,5-dithiazinane (PubChem CID 15253874) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,3,5-dithiazinane
PubChem CID15253874
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name5-(2-methylpropyl)-1,3,5-dithiazinane
SMILESCC(C)CN1CSCSC1
InChIInChI=1S/C7H15NS2/c1-7(2)3-8-4-9-6-10-5-8/h7H,3-6H2,1-2H3
InChIKeySERDZSWRBRKKAS-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,3,5-dithiazinane?
The IUPAC name of 5-(2-methylpropyl)-1,3,5-dithiazinane (CID 15253874) is 5-(2-methylpropyl)-1,3,5-dithiazinane.
What is the SMILES notation for 5-(2-methylpropyl)-1,3,5-dithiazinane?
The canonical SMILES for 5-(2-methylpropyl)-1,3,5-dithiazinane is CC(C)CN1CSCSC1.
What is the InChIKey of 5-(2-methylpropyl)-1,3,5-dithiazinane?
The InChIKey is SERDZSWRBRKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-7(2)3-8-4-9-6-10-5-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1,3,5-dithiazinane?
5-(2-methylpropyl)-1,3,5-dithiazinane has a molecular weight of 177.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,3,5-dithiazinane is sourced from PubChem (CID 15253874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).