3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide

C15H23NOS — CID 66228672

IUPAC3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide
SMILESCCC1CS(=O)CC(c2ccc(C(C)C)cc2)N1
InChIInChI=1S/C15H23NOS/c1-4-14-9-18(17)10-15(16-14)13-7-5-12(6-8-13)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyIHCHVOUZSOJPHF-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.98
Rot. Bonds3

About 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide

3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide (PubChem CID 66228672) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide
PubChem CID66228672
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide
SMILESCCC1CS(=O)CC(c2ccc(C(C)C)cc2)N1
InChIInChI=1S/C15H23NOS/c1-4-14-9-18(17)10-15(16-14)13-7-5-12(6-8-13)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyIHCHVOUZSOJPHF-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
3-Phenylthiomorpholine
CID 4685153
Thiazolidine, 2-(p-tolyl)-2-methyl-
CID 120797
2H-1,3-Thiazine, tetrahydro-2-(p-tolyl)-, hydrochloride
CID 3061413
2-(2-Methylphenyl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061417
N4-Benzyl-2-(methylthioethyl)piperazine
CID 24948382
1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 24685614
N-[(4-tert-butylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086178
3-(4-Methylphenyl)-4-(2-methylsulfonylethyl)thiomorpholine
CID 72011961
N-(2-tert-butylsulfonylethyl)-1,2,4,5-tetrahydro-3-benzothiepin-5-amine
CID 75441516

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide (CID 66228672) is 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide is CCC1CS(=O)CC(c2ccc(C(C)C)cc2)N1.
What is the InChIKey of 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide?
The InChIKey is IHCHVOUZSOJPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-14-9-18(17)10-15(16-14)13-7-5-12(6-8-13)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide?
3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide has a molecular weight of 265.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66228672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).