4-[(3-bromophenyl)methyl]thiomorpholine

C11H14BrNS — CID 785876

IUPAC4-[(3-bromophenyl)methyl]thiomorpholine
SMILESBrc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C11H14BrNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKeyPWWDEQSIYFSCSF-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.00
Rot. Bonds2

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

4-[(3-bromophenyl)methyl]thiomorpholine (PubChem CID 785876) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]thiomorpholine
PubChem CID785876
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name4-[(3-bromophenyl)methyl]thiomorpholine
SMILESBrc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C11H14BrNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKeyPWWDEQSIYFSCSF-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-bromophenyl)methyl]thiomorpholine (CID 785876) is 4-[(3-bromophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-bromophenyl)methyl]thiomorpholine is Brc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]thiomorpholine?
The InChIKey is PWWDEQSIYFSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2.
What are the key properties of 4-[(3-bromophenyl)methyl]thiomorpholine?
4-[(3-bromophenyl)methyl]thiomorpholine has a molecular weight of 272.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]thiomorpholine is sourced from PubChem (CID 785876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).