N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine

C14H21FN2O2S2 — CID 102921045

IUPACN-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N1CCSC(C)C1
InChIInChI=1S/C14H21FN2O2S2/c1-3-16-9-12-4-5-13(15)8-14(12)21(18,19)17-6-7-20-11(2)10-17/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyAUUDRNSFGZGYCG-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.06
Rot. Bonds5

About N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine

N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine (PubChem CID 102921045) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
PubChem CID102921045
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC NameN-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N1CCSC(C)C1
InChIInChI=1S/C14H21FN2O2S2/c1-3-16-9-12-4-5-13(15)8-14(12)21(18,19)17-6-7-20-11(2)10-17/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyAUUDRNSFGZGYCG-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine 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

N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 102920286
1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
CID 102921065
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102920370
N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754929
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3-methylpyrrolidine
CID 102920059
[3,4-difluoro-5-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methanamine
CID 105123566
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
methyl 4-amino-2-(2-methylthiomorpholin-4-yl)sulfonylbenzoate
CID 102931705
4-(4-fluoro-2-methyl-5-nitrophenyl)sulfonyl-2-methylthiomorpholine
CID 115967599
[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 103541161

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine (CID 102921045) is N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(F)cc1S(=O)(=O)N1CCSC(C)C1.
What is the InChIKey of N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
The InChIKey is AUUDRNSFGZGYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-3-16-9-12-4-5-13(15)8-14(12)21(18,19)17-6-7-20-11(2)10-17/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine has a molecular weight of 332.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 102921045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).