2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one

C14H19NO3S2 — CID 54582153

IUPAC2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one
SMILESCCCN1C(=O)CCSC1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3
InChIKeyZAJCFIDMYFWECY-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one

2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one (PubChem CID 54582153) has the molecular formula C14H19NO3S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one
PubChem CID54582153
Molecular FormulaC14H19NO3S2
Molecular Weight313.44 g/mol
Exact Mass313.08
IUPAC Name2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one
SMILESCCCN1C(=O)CCSC1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3
InChIKeyZAJCFIDMYFWECY-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one (CID 54582153) is 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one is CCCN1C(=O)CCSC1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one?
The InChIKey is ZAJCFIDMYFWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one?
2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one has a molecular weight of 313.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-propyl-1,3-thiazinan-4-one is sourced from PubChem (CID 54582153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).