4-benzylthiomorpholine

C11H15NS — CID 791137

IUPAC4-benzylthiomorpholine
SMILESc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5H,6-10H2
InChIKeyOYLTYHXSZIVBOZ-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.24
Rot. Bonds2

About 4-benzylthiomorpholine

4-benzylthiomorpholine (PubChem CID 791137) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 4-benzylthiomorpholine.

Molecular Properties

Compound Name4-benzylthiomorpholine
PubChem CID791137
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name4-benzylthiomorpholine
SMILESc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5H,6-10H2
InChIKeyOYLTYHXSZIVBOZ-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-2,5-dihydropyrrole
CID 561506
1-Benzylpiperidine
CID 76190
2-Phenylthiomorpholine
CID 5004199
N-Allyl-N-methylbenzylamine
CID 3542547
4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(3-Chlorobenzyl)thiomorpholine
CID 792437
4-[3-(Trifluoromethyl)benzyl]thiomorpholine
CID 792495
4-(3-Methylbenzyl)thiomorpholine
CID 792738
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
1-Benzyl-4-methylpiperidine
CID 3966943

Frequently Asked Questions

What is the IUPAC name of 4-benzylthiomorpholine?
The IUPAC name of 4-benzylthiomorpholine (CID 791137) is 4-benzylthiomorpholine.
What is the SMILES notation for 4-benzylthiomorpholine?
The canonical SMILES for 4-benzylthiomorpholine is c1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-benzylthiomorpholine?
The InChIKey is OYLTYHXSZIVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5H,6-10H2.
What are the key properties of 4-benzylthiomorpholine?
4-benzylthiomorpholine has a molecular weight of 193.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylthiomorpholine is sourced from PubChem (CID 791137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).