3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide

C13H18ClNOS — CID 66229594

IUPAC3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide
SMILESCCC1CS(=O)C(C)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H18ClNOS/c1-3-12-8-17(16)9(2)13(15-12)10-4-6-11(14)7-5-10/h4-7,9,12-13,15H,3,8H2,1-2H3
InChIKeyBOGDEOZWEYZCRF-UHFFFAOYSA-N
MW271.81 g/mol
LogP2.90
Rot. Bonds2

About 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide

3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 66229594) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide
PubChem CID66229594
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide
SMILESCCC1CS(=O)C(C)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H18ClNOS/c1-3-12-8-17(16)9(2)13(15-12)10-4-6-11(14)7-5-10/h4-7,9,12-13,15H,3,8H2,1-2H3
InChIKeyBOGDEOZWEYZCRF-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide (CID 66229594) is 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide is CCC1CS(=O)C(C)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is BOGDEOZWEYZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-3-12-8-17(16)9(2)13(15-12)10-4-6-11(14)7-5-10/h4-7,9,12-13,15H,3,8H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide?
3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 271.81 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66229594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).