N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine

C14H22N2O2S2 — CID 43506983

IUPACN-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
SMILESCCNC(C)c1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H22N2O2S2/c1-3-15-12(2)13-4-6-14(7-5-13)20(17,18)16-8-10-19-11-9-16/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyVPVJSKQCHLRZDS-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine

N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine (PubChem CID 43506983) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
PubChem CID43506983
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
SMILESCCNC(C)c1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H22N2O2S2/c1-3-15-12(2)13-4-6-14(7-5-13)20(17,18)16-8-10-19-11-9-16/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyVPVJSKQCHLRZDS-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)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-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine
CID 43506982
N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60822628
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43506894
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43570487
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
4-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61418861
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
N-[2-(ethylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine (CID 43506983) is N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine is CCNC(C)c1ccc(S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine?
The InChIKey is VPVJSKQCHLRZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-15-12(2)13-4-6-14(7-5-13)20(17,18)16-8-10-19-11-9-16/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine?
N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine has a molecular weight of 314.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine is sourced from PubChem (CID 43506983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).