1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine

C13H19BrN2O2S2 — CID 66381833

IUPAC1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O2S2/c1-15-8-10-3-4-11(14)7-12(10)16-5-6-19-9-13(16)20(2,17)18/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyYJAGQQGIFRPNDB-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine

1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine (PubChem CID 66381833) has the molecular formula C13H19BrN2O2S2 and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
PubChem CID66381833
Molecular FormulaC13H19BrN2O2S2
Molecular Weight379.35 g/mol
Exact Mass378.01
IUPAC Name1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O2S2/c1-15-8-10-3-4-11(14)7-12(10)16-5-6-19-9-13(16)20(2,17)18/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyYJAGQQGIFRPNDB-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66383581
4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)benzaldehyde
CID 66383181
N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine
CID 81247525
1-[3,5-difluoro-4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 66383964
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
[5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 114889729
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
1-[4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861896
N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074134
[1-[5-bromo-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411184
4-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)benzenecarbothioamide
CID 114903334

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine (CID 66381833) is 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine is CNCc1ccc(Br)cc1N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is YJAGQQGIFRPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S2/c1-15-8-10-3-4-11(14)7-12(10)16-5-6-19-9-13(16)20(2,17)18/h3-4,7,13,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine?
1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 379.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66381833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).