3-propyl-1,3-thiazinan-4-one

C7H13NOS — CID 67725502

IUPAC3-propyl-1,3-thiazinan-4-one
SMILESCCCN1CSCCC1=O
InChIInChI=1S/C7H13NOS/c1-2-4-8-6-10-5-3-7(8)9/h2-6H2,1H3
InChIKeyBEOJNKDRQJAYTB-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.32
Rot. Bonds2

About 3-propyl-1,3-thiazinan-4-one

3-propyl-1,3-thiazinan-4-one (PubChem CID 67725502) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-propyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-propyl-1,3-thiazinan-4-one
PubChem CID67725502
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-propyl-1,3-thiazinan-4-one
SMILESCCCN1CSCCC1=O
InChIInChI=1S/C7H13NOS/c1-2-4-8-6-10-5-3-7(8)9/h2-6H2,1H3
InChIKeyBEOJNKDRQJAYTB-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,3-thiazinan-4-one?
The IUPAC name of 3-propyl-1,3-thiazinan-4-one (CID 67725502) is 3-propyl-1,3-thiazinan-4-one.
What is the SMILES notation for 3-propyl-1,3-thiazinan-4-one?
The canonical SMILES for 3-propyl-1,3-thiazinan-4-one is CCCN1CSCCC1=O.
What is the InChIKey of 3-propyl-1,3-thiazinan-4-one?
The InChIKey is BEOJNKDRQJAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-4-8-6-10-5-3-7(8)9/h2-6H2,1H3.
What are the key properties of 3-propyl-1,3-thiazinan-4-one?
3-propyl-1,3-thiazinan-4-one has a molecular weight of 159.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,3-thiazinan-4-one is sourced from PubChem (CID 67725502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).