3-tert-butyl-1,3-thiazinane

C8H17NS — CID 12634521

IUPAC3-tert-butyl-1,3-thiazinane
SMILESCC(C)(C)N1CCCSC1
InChIInChI=1S/C8H17NS/c1-8(2,3)9-5-4-6-10-7-9/h4-7H2,1-3H3
InChIKeyKXUUXLDJRJIVKX-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.18
Rot. Bonds

About 3-tert-butyl-1,3-thiazinane

3-tert-butyl-1,3-thiazinane (PubChem CID 12634521) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-tert-butyl-1,3-thiazinane.

Molecular Properties

Compound Name3-tert-butyl-1,3-thiazinane
PubChem CID12634521
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-tert-butyl-1,3-thiazinane
SMILESCC(C)(C)N1CCCSC1
InChIInChI=1S/C8H17NS/c1-8(2,3)9-5-4-6-10-7-9/h4-7H2,1-3H3
InChIKeyKXUUXLDJRJIVKX-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-thiazinane?
The IUPAC name of 3-tert-butyl-1,3-thiazinane (CID 12634521) is 3-tert-butyl-1,3-thiazinane.
What is the SMILES notation for 3-tert-butyl-1,3-thiazinane?
The canonical SMILES for 3-tert-butyl-1,3-thiazinane is CC(C)(C)N1CCCSC1.
What is the InChIKey of 3-tert-butyl-1,3-thiazinane?
The InChIKey is KXUUXLDJRJIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)9-5-4-6-10-7-9/h4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1,3-thiazinane?
3-tert-butyl-1,3-thiazinane has a molecular weight of 159.30 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-thiazinane is sourced from PubChem (CID 12634521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).