1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone

C15H21NOS — CID 116586592

IUPAC1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
SMILESCCCc1cccc(C(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H21NOS/c1-2-4-12-5-3-6-13(9-12)15(17)10-14-11-18-8-7-16-14/h3,5-6,9,14,16H,2,4,7-8,10-11H2,1H3
InChIKeyJUDFLSUMTYJMMD-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone

1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone (PubChem CID 116586592) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
PubChem CID116586592
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
SMILESCCCc1cccc(C(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H21NOS/c1-2-4-12-5-3-6-13(9-12)15(17)10-14-11-18-8-7-16-14/h3,5-6,9,14,16H,2,4,7-8,10-11H2,1H3
InChIKeyJUDFLSUMTYJMMD-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621
1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
CID 114607644
1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583457
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586513
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone (CID 116586592) is 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone is CCCc1cccc(C(=O)CC2CSCCN2)c1.
What is the InChIKey of 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone?
The InChIKey is JUDFLSUMTYJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-4-12-5-3-6-13(9-12)15(17)10-14-11-18-8-7-16-14/h3,5-6,9,14,16H,2,4,7-8,10-11H2,1H3.
What are the key properties of 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone?
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone has a molecular weight of 263.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116586592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).