(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone

C15H19NOS — CID 114607772

IUPAC(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
SMILESO=C(c1cccc(C2CCC2)c1)C1CSCCN1
InChIInChI=1S/C15H19NOS/c17-15(14-10-18-8-7-16-14)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-6,9,11,14,16H,1,3-4,7-8,10H2
InChIKeyXPODDMHRMHXPFA-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.84
Rot. Bonds3

About (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone

(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone (PubChem CID 114607772) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
PubChem CID114607772
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
SMILESO=C(c1cccc(C2CCC2)c1)C1CSCCN1
InChIInChI=1S/C15H19NOS/c17-15(14-10-18-8-7-16-14)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-6,9,11,14,16H,1,3-4,7-8,10H2
InChIKeyXPODDMHRMHXPFA-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
CID 114607644
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
thiomorpholin-3-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 116609647
azetidin-3-yl-(3-cyclobutylphenyl)methanone
CID 114607630
3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
CID 115814566
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 116609720
1-[3-(thiolan-3-yl)phenyl]ethanone
CID 84779240
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115814724
1-[3-(thietan-3-yl)phenyl]ethanone
CID 84664307
(3-cyclobutylphenyl)-thiophen-3-ylmethanone
CID 114601713

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone (CID 114607772) is (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone is O=C(c1cccc(C2CCC2)c1)C1CSCCN1.
What is the InChIKey of (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone?
The InChIKey is XPODDMHRMHXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-15(14-10-18-8-7-16-14)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-6,9,11,14,16H,1,3-4,7-8,10H2.
What are the key properties of (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone?
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone has a molecular weight of 261.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 114607772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).