cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone

C18H25NOS — CID 24725004

IUPACcyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCSCC2)c1)C1CCCCC1
InChIInChI=1S/C18H25NOS/c20-18(16-6-2-1-3-7-16)17-8-4-5-15(13-17)14-19-9-11-21-12-10-19/h4-5,8,13,16H,1-3,6-7,9-12,14H2
InChIKeyROQCUTWPJLACON-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.00
Rot. Bonds4

About cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone

cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24725004) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24725004
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Namecyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCSCC2)c1)C1CCCCC1
InChIInChI=1S/C18H25NOS/c20-18(16-6-2-1-3-7-16)17-8-4-5-15(13-17)14-19-9-11-21-12-10-19/h4-5,8,13,16H,1-3,6-7,9-12,14H2
InChIKeyROQCUTWPJLACON-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724955
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725453
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
1-[(3-carbamothioylphenyl)methyl]piperidine-4-carboxamide
CID 24696058
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
bis[2-cyclopentyl-4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 73011714
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917
3-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24694260

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24725004) is cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2CCSCC2)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is ROQCUTWPJLACON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c20-18(16-6-2-1-3-7-16)17-8-4-5-15(13-17)14-19-9-11-21-12-10-19/h4-5,8,13,16H,1-3,6-7,9-12,14H2.
What are the key properties of cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone?
cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 303.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).