3-methyl-1,3-thiazinan-2-one

C5H9NOS — CID 13352385

IUPAC3-methyl-1,3-thiazinan-2-one
SMILESCN1CCCSC1=O
InChIInChI=1S/C5H9NOS/c1-6-3-2-4-8-5(6)7/h2-4H2,1H3
InChIKeyQXCKNENKMQYWLG-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.18
Rot. Bonds

About 3-methyl-1,3-thiazinan-2-one

3-methyl-1,3-thiazinan-2-one (PubChem CID 13352385) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 3-methyl-1,3-thiazinan-2-one.

Molecular Properties

Compound Name3-methyl-1,3-thiazinan-2-one
PubChem CID13352385
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name3-methyl-1,3-thiazinan-2-one
SMILESCN1CCCSC1=O
InChIInChI=1S/C5H9NOS/c1-6-3-2-4-8-5(6)7/h2-4H2,1H3
InChIKeyQXCKNENKMQYWLG-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

s-Ethyl piperidine-1-carbothioate
CID 247692
2H-1,3-Thiazine, 3-acetyltetrahydro-(9CI)
CID 14296340
3-Methyl-1,3-thiazinan-4-one
CID 12445250
3-Ethyl-1,3-thiazinan-2-one
CID 13352374
3-Propan-2-yl-1,3-thiazinan-2-one
CID 13352386
4-Thiomorpholinecarboxaldehyde, 2-ethyl-(8CI,9CI)
CID 19848473
N-Formyl-2,6-dimethyl-thiomorpholine
CID 19848484
2-Methyl-4-thiomorpholinecarboxaldehyde
CID 19848523
5-Ethyl-3-methyl-1,3-thiazinan-2-one
CID 60001170
3-Propyl-1,3-thiazinan-4-one
CID 67725502
5-Ethynyl-3-methyl-1,3-thiazinan-2-one
CID 89446032
Ethane;3-methyl-1,3-thiazinan-2-one
CID 90890028

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazinan-2-one?
The IUPAC name of 3-methyl-1,3-thiazinan-2-one (CID 13352385) is 3-methyl-1,3-thiazinan-2-one.
What is the SMILES notation for 3-methyl-1,3-thiazinan-2-one?
The canonical SMILES for 3-methyl-1,3-thiazinan-2-one is CN1CCCSC1=O.
What is the InChIKey of 3-methyl-1,3-thiazinan-2-one?
The InChIKey is QXCKNENKMQYWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-6-3-2-4-8-5(6)7/h2-4H2,1H3.
What are the key properties of 3-methyl-1,3-thiazinan-2-one?
3-methyl-1,3-thiazinan-2-one has a molecular weight of 131.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazinan-2-one is sourced from PubChem (CID 13352385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).