3-propan-2-yl-1,3-thiazinan-2-one

C7H13NOS — CID 13352386

IUPAC3-propan-2-yl-1,3-thiazinan-2-one
SMILESCC(C)N1CCCSC1=O
InChIInChI=1S/C7H13NOS/c1-6(2)8-4-3-5-10-7(8)9/h6H,3-5H2,1-2H3
InChIKeyJZNHIVQMVJUOER-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.95
Rot. Bonds1

About 3-propan-2-yl-1,3-thiazinan-2-one

3-propan-2-yl-1,3-thiazinan-2-one (PubChem CID 13352386) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-thiazinan-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1,3-thiazinan-2-one
PubChem CID13352386
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-propan-2-yl-1,3-thiazinan-2-one
SMILESCC(C)N1CCCSC1=O
InChIInChI=1S/C7H13NOS/c1-6(2)8-4-3-5-10-7(8)9/h6H,3-5H2,1-2H3
InChIKeyJZNHIVQMVJUOER-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-thiazinan-2-one?
The IUPAC name of 3-propan-2-yl-1,3-thiazinan-2-one (CID 13352386) is 3-propan-2-yl-1,3-thiazinan-2-one.
What is the SMILES notation for 3-propan-2-yl-1,3-thiazinan-2-one?
The canonical SMILES for 3-propan-2-yl-1,3-thiazinan-2-one is CC(C)N1CCCSC1=O.
What is the InChIKey of 3-propan-2-yl-1,3-thiazinan-2-one?
The InChIKey is JZNHIVQMVJUOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-6(2)8-4-3-5-10-7(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-thiazinan-2-one?
3-propan-2-yl-1,3-thiazinan-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.95, 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-thiazinan-2-one is sourced from PubChem (CID 13352386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).