3-[(3-methylphenyl)methyl]thiomorpholine

C12H17NS — CID 82283612

IUPAC3-[(3-methylphenyl)methyl]thiomorpholine
SMILESCc1cccc(CC2CSCCN2)c1
InChIInChI=1S/C12H17NS/c1-10-3-2-4-11(7-10)8-12-9-14-6-5-13-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyHNDRMDLJOFSDBZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.24
Rot. Bonds2

About 3-[(3-methylphenyl)methyl]thiomorpholine

3-[(3-methylphenyl)methyl]thiomorpholine (PubChem CID 82283612) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]thiomorpholine
PubChem CID82283612
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3-[(3-methylphenyl)methyl]thiomorpholine
SMILESCc1cccc(CC2CSCCN2)c1
InChIInChI=1S/C12H17NS/c1-10-3-2-4-11(7-10)8-12-9-14-6-5-13-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyHNDRMDLJOFSDBZ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methyl]thiomorpholine
CID 82288156
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
3-[(3-methylphenoxy)methyl]thiomorpholine
CID 82287244
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
methyl 2-[(3-methylphenyl)methyl]-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119938884
N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
2-[(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829836
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
(2S,5R)-2-[(3-methylphenyl)methyl]-5-(2-methylpropyl)pyrrolidine
CID 16663487
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]thiomorpholine?
The IUPAC name of 3-[(3-methylphenyl)methyl]thiomorpholine (CID 82283612) is 3-[(3-methylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]thiomorpholine is Cc1cccc(CC2CSCCN2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]thiomorpholine?
The InChIKey is HNDRMDLJOFSDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-3-2-4-11(7-10)8-12-9-14-6-5-13-12/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]thiomorpholine?
3-[(3-methylphenyl)methyl]thiomorpholine has a molecular weight of 207.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 82283612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).