cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone

C16H21NOS — CID 24725453

IUPACcyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1CN1CCSCC1)C1CCC1
InChIInChI=1S/C16H21NOS/c18-16(13-5-3-6-13)15-7-2-1-4-14(15)12-17-8-10-19-11-9-17/h1-2,4,7,13H,3,5-6,8-12H2
InChIKeyJTWZAHGLSICEPN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.22
Rot. Bonds4

About cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone

cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24725453) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24725453
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Namecyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1CN1CCSCC1)C1CCC1
InChIInChI=1S/C16H21NOS/c18-16(13-5-3-6-13)15-7-2-1-4-14(15)12-17-8-10-19-11-9-17/h1-2,4,7,13H,3,5-6,8-12H2
InChIKeyJTWZAHGLSICEPN-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone
CID 24725341
(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725004
(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725410
2-(thiomorpholin-4-ylmethyl)benzaldehyde
CID 91657440
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171674975

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24725453) is cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccccc1CN1CCSCC1)C1CCC1.
What is the InChIKey of cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is JTWZAHGLSICEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(13-5-3-6-13)15-7-2-1-4-14(15)12-17-8-10-19-11-9-17/h1-2,4,7,13H,3,5-6,8-12H2.
What are the key properties of cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 275.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).