[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine

C14H21FN2O2S2 — CID 66382144

IUPAC[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1Cc1cc(F)ccc1CN
InChIInChI=1S/C14H21FN2O2S2/c1-2-21(18,19)14-10-20-6-5-17(14)9-12-7-13(15)4-3-11(12)8-16/h3-4,7,14H,2,5-6,8-10,16H2,1H3
InChIKeyOUZWMJKYLFBVRQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.59
Rot. Bonds5

About [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine

[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine (PubChem CID 66382144) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
PubChem CID66382144
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1Cc1cc(F)ccc1CN
InChIInChI=1S/C14H21FN2O2S2/c1-2-21(18,19)14-10-20-6-5-17(14)9-12-7-13(15)4-3-11(12)8-16/h3-4,7,14H,2,5-6,8-10,16H2,1H3
InChIKeyOUZWMJKYLFBVRQ-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine 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

1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 66383882
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959
3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline
CID 66384075
[5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 114889729
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378294
4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
(2-bromo-4-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378146
1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 66384202
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095
4-[(2-fluoro-3-nitrophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 107348358
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine (CID 66382144) is [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine is CCS(=O)(=O)C1CSCCN1Cc1cc(F)ccc1CN.
What is the InChIKey of [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
The InChIKey is OUZWMJKYLFBVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-2-21(18,19)14-10-20-6-5-17(14)9-12-7-13(15)4-3-11(12)8-16/h3-4,7,14H,2,5-6,8-10,16H2,1H3.
What are the key properties of [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine has a molecular weight of 332.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 66382144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).