3-propan-2-yl-1,3-thiazinane

C7H15NS — CID 12634520

IUPAC3-propan-2-yl-1,3-thiazinane
SMILESCC(C)N1CCCSC1
InChIInChI=1S/C7H15NS/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H3
InChIKeyUQLSFYIQEIQMEW-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds1

About 3-propan-2-yl-1,3-thiazinane

3-propan-2-yl-1,3-thiazinane (PubChem CID 12634520) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name3-propan-2-yl-1,3-thiazinane
PubChem CID12634520
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-propan-2-yl-1,3-thiazinane
SMILESCC(C)N1CCCSC1
InChIInChI=1S/C7H15NS/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H3
InChIKeyUQLSFYIQEIQMEW-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-thiazinane?
The IUPAC name of 3-propan-2-yl-1,3-thiazinane (CID 12634520) is 3-propan-2-yl-1,3-thiazinane.
What is the SMILES notation for 3-propan-2-yl-1,3-thiazinane?
The canonical SMILES for 3-propan-2-yl-1,3-thiazinane is CC(C)N1CCCSC1.
What is the InChIKey of 3-propan-2-yl-1,3-thiazinane?
The InChIKey is UQLSFYIQEIQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-thiazinane?
3-propan-2-yl-1,3-thiazinane has a molecular weight of 145.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-thiazinane is sourced from PubChem (CID 12634520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).