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

C16H21NOS — CID 114607644

IUPAC1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H21NOS/c18-16(10-15-11-19-8-7-17-15)14-6-2-5-13(9-14)12-3-1-4-12/h2,5-6,9,12,15,17H,1,3-4,7-8,10-11H2
InChIKeyRWFMVQUEWLQCCB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.23
Rot. Bonds4

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

1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone (PubChem CID 114607644) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
PubChem CID114607644
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H21NOS/c18-16(10-15-11-19-8-7-17-15)14-6-2-5-13(9-14)12-3-1-4-12/h2,5-6,9,12,15,17H,1,3-4,7-8,10-11H2
InChIKeyRWFMVQUEWLQCCB-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiomorpholin-3-ylethanone
CID 116586568
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586513
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168158
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone (CID 114607644) is 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone?
The InChIKey is RWFMVQUEWLQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(10-15-11-19-8-7-17-15)14-6-2-5-13(9-14)12-3-1-4-12/h2,5-6,9,12,15,17H,1,3-4,7-8,10-11H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone?
1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone has a molecular weight of 275.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 114607644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).