2-[(4-bromophenyl)methyl]thiomorpholine

C11H14BrNS — CID 69179664

IUPAC2-[(4-bromophenyl)methyl]thiomorpholine
SMILESBrc1ccc(CC2CNCCS2)cc1
InChIInChI=1S/C11H14BrNS/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13H,5-8H2
InChIKeyRMCCSPKZNAAWAH-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.70
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]thiomorpholine

2-[(4-bromophenyl)methyl]thiomorpholine (PubChem CID 69179664) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]thiomorpholine
PubChem CID69179664
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name2-[(4-bromophenyl)methyl]thiomorpholine
SMILESBrc1ccc(CC2CNCCS2)cc1
InChIInChI=1S/C11H14BrNS/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13H,5-8H2
InChIKeyRMCCSPKZNAAWAH-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]thiomorpholine?
The IUPAC name of 2-[(4-bromophenyl)methyl]thiomorpholine (CID 69179664) is 2-[(4-bromophenyl)methyl]thiomorpholine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]thiomorpholine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]thiomorpholine is Brc1ccc(CC2CNCCS2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]thiomorpholine?
The InChIKey is RMCCSPKZNAAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13H,5-8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]thiomorpholine?
2-[(4-bromophenyl)methyl]thiomorpholine has a molecular weight of 272.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]thiomorpholine is sourced from PubChem (CID 69179664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).