3-[(3-chlorophenyl)methyl]thiomorpholine

C11H14ClNS — CID 82288156

IUPAC3-[(3-chlorophenyl)methyl]thiomorpholine
SMILESClc1cccc(CC2CSCCN2)c1
InChIInChI=1S/C11H14ClNS/c12-10-3-1-2-9(6-10)7-11-8-14-5-4-13-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyPGQCWYRPKJUZBN-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.59
Rot. Bonds2

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

3-[(3-chlorophenyl)methyl]thiomorpholine (PubChem CID 82288156) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]thiomorpholine
PubChem CID82288156
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name3-[(3-chlorophenyl)methyl]thiomorpholine
SMILESClc1cccc(CC2CSCCN2)c1
InChIInChI=1S/C11H14ClNS/c12-10-3-1-2-9(6-10)7-11-8-14-5-4-13-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyPGQCWYRPKJUZBN-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66420536
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
3-benzyl-1-(3-chlorophenyl)piperazine
CID 64924476
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]thiomorpholine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]thiomorpholine (CID 82288156) is 3-[(3-chlorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]thiomorpholine is Clc1cccc(CC2CSCCN2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]thiomorpholine?
The InChIKey is PGQCWYRPKJUZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c12-10-3-1-2-9(6-10)7-11-8-14-5-4-13-11/h1-3,6,11,13H,4-5,7-8H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]thiomorpholine?
3-[(3-chlorophenyl)methyl]thiomorpholine has a molecular weight of 227.76 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 82288156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).