(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C18H26N2O2S — CID 70768311

IUPAC(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCSc1ccccc1C(=O)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H26N2O2S/c1-23-17-8-3-2-7-16(17)18(21)20-9-5-4-6-15(20)14-19-10-12-22-13-11-19/h2-3,7-8,15H,4-6,9-14H2,1H3
InChIKeyUXRDTPVCNRCBRR-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.74
Rot. Bonds4

About (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 70768311) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID70768311
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCSc1ccccc1C(=O)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H26N2O2S/c1-23-17-8-3-2-7-16(17)18(21)20-9-5-4-6-15(20)14-19-10-12-22-13-11-19/h2-3,7-8,15H,4-6,9-14H2,1H3
InChIKeyUXRDTPVCNRCBRR-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(chloromethyl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 116639289
[2-(2-chloroethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79205658
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70750958
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126776183
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 126783721
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120644954

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 70768311) is (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CSc1ccccc1C(=O)N1CCCCC1CN1CCOCC1.
What is the InChIKey of (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UXRDTPVCNRCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-23-17-8-3-2-7-16(17)18(21)20-9-5-4-6-15(20)14-19-10-12-22-13-11-19/h2-3,7-8,15H,4-6,9-14H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 334.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70768311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).