2-butyl-1,3-thiazinane

C8H17NS — CID 3061406

IUPAC2-butyl-1,3-thiazinane
SMILESCCCCC1NCCCS1
InChIInChI=1S/C8H17NS/c1-2-3-5-8-9-6-4-7-10-8/h8-9H,2-7H2,1H3
InChIKeyXUDPUKHCVOHLJF-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.23
Rot. Bonds3

About 2-butyl-1,3-thiazinane

2-butyl-1,3-thiazinane (PubChem CID 3061406) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-butyl-1,3-thiazinane.

Molecular Properties

Compound Name2-butyl-1,3-thiazinane
PubChem CID3061406
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-butyl-1,3-thiazinane
SMILESCCCCC1NCCCS1
InChIInChI=1S/C8H17NS/c1-2-3-5-8-9-6-4-7-10-8/h8-9H,2-7H2,1H3
InChIKeyXUDPUKHCVOHLJF-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-thiazinane?
The IUPAC name of 2-butyl-1,3-thiazinane (CID 3061406) is 2-butyl-1,3-thiazinane.
What is the SMILES notation for 2-butyl-1,3-thiazinane?
The canonical SMILES for 2-butyl-1,3-thiazinane is CCCCC1NCCCS1.
What is the InChIKey of 2-butyl-1,3-thiazinane?
The InChIKey is XUDPUKHCVOHLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-5-8-9-6-4-7-10-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-butyl-1,3-thiazinane?
2-butyl-1,3-thiazinane has a molecular weight of 159.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-thiazinane is sourced from PubChem (CID 3061406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).