3-dodecanoyl-1,3-thiazinan-2-one

C16H29NO2S — CID 18702571

IUPAC3-dodecanoyl-1,3-thiazinan-2-one
SMILESCCCCCCCCCCCC(=O)N1CCCSC1=O
InChIInChI=1S/C16H29NO2S/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-13-11-14-20-16(17)19/h2-14H2,1H3
InChIKeySGOYMJXMQCRPCO-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.99
Rot. Bonds10

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

3-dodecanoyl-1,3-thiazinan-2-one (PubChem CID 18702571) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is 3-dodecanoyl-1,3-thiazinan-2-one.

Molecular Properties

Compound Name3-dodecanoyl-1,3-thiazinan-2-one
PubChem CID18702571
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name3-dodecanoyl-1,3-thiazinan-2-one
SMILESCCCCCCCCCCCC(=O)N1CCCSC1=O
InChIInChI=1S/C16H29NO2S/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-13-11-14-20-16(17)19/h2-14H2,1H3
InChIKeySGOYMJXMQCRPCO-UHFFFAOYSA-N
XLogP4.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dodecanoyl-1,3-thiazinan-2-one?
The IUPAC name of 3-dodecanoyl-1,3-thiazinan-2-one (CID 18702571) is 3-dodecanoyl-1,3-thiazinan-2-one.
What is the SMILES notation for 3-dodecanoyl-1,3-thiazinan-2-one?
The canonical SMILES for 3-dodecanoyl-1,3-thiazinan-2-one is CCCCCCCCCCCC(=O)N1CCCSC1=O.
What is the InChIKey of 3-dodecanoyl-1,3-thiazinan-2-one?
The InChIKey is SGOYMJXMQCRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-13-11-14-20-16(17)19/h2-14H2,1H3.
What are the key properties of 3-dodecanoyl-1,3-thiazinan-2-one?
3-dodecanoyl-1,3-thiazinan-2-one has a molecular weight of 299.48 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecanoyl-1,3-thiazinan-2-one is sourced from PubChem (CID 18702571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).