4-[(3-methoxyphenyl)methyl]thiomorpholine

C12H17NOS — CID 763908

IUPAC4-[(3-methoxyphenyl)methyl]thiomorpholine
SMILESCOc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C12H17NOS/c1-14-12-4-2-3-11(9-12)10-13-5-7-15-8-6-13/h2-4,9H,5-8,10H2,1H3
InChIKeyYCZICELDYBXAHR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.24
Rot. Bonds3

About 4-[(3-methoxyphenyl)methyl]thiomorpholine

4-[(3-methoxyphenyl)methyl]thiomorpholine (PubChem CID 763908) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]thiomorpholine
PubChem CID763908
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-[(3-methoxyphenyl)methyl]thiomorpholine
SMILESCOc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C12H17NOS/c1-14-12-4-2-3-11(9-12)10-13-5-7-15-8-6-13/h2-4,9H,5-8,10H2,1H3
InChIKeyYCZICELDYBXAHR-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119455
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]thiomorpholine (CID 763908) is 4-[(3-methoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]thiomorpholine is COc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]thiomorpholine?
The InChIKey is YCZICELDYBXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-14-12-4-2-3-11(9-12)10-13-5-7-15-8-6-13/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]thiomorpholine?
4-[(3-methoxyphenyl)methyl]thiomorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 763908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).