N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine

C11H24N2O4S3 — CID 66378170

IUPACN-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine
SMILESCCNCCCS(=O)(=O)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C11H24N2O4S3/c1-3-12-6-5-9-20(16,17)13-7-8-18-10-11(13)19(14,15)4-2/h11-12H,3-10H2,1-2H3
InChIKeyIQFZJZFGGYOXNU-UHFFFAOYSA-N
MW344.52 g/mol
LogP0.13
Rot. Bonds8

About N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine

N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine (PubChem CID 66378170) has the molecular formula C11H24N2O4S3 and a molecular weight of 344.52 g/mol. Its IUPAC name is N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine
PubChem CID66378170
Molecular FormulaC11H24N2O4S3
Molecular Weight344.52 g/mol
Exact Mass344.09
IUPAC NameN-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine
SMILESCCNCCCS(=O)(=O)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C11H24N2O4S3/c1-3-12-6-5-9-20(16,17)13-7-8-18-10-11(13)19(14,15)4-2/h11-12H,3-10H2,1-2H3
InChIKeyIQFZJZFGGYOXNU-UHFFFAOYSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine 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

3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
CID 66376812
3-ethylsulfonyl-4-propylsulfonylthiomorpholine
CID 66376427
4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
CID 66376976
2-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylacetic acid
CID 66377519
4-(3-chloro-2-methylpropyl)sulfonyl-3-ethylsulfonylthiomorpholine
CID 79588637
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
4-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-N-propan-2-ylbutan-1-amine
CID 66383682
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
CID 66376027
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608
N-[[5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 66378309
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine (CID 66378170) is N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine is CCNCCCS(=O)(=O)N1CCSCC1S(=O)(=O)CC.
What is the InChIKey of N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine?
The InChIKey is IQFZJZFGGYOXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S3/c1-3-12-6-5-9-20(16,17)13-7-8-18-10-11(13)19(14,15)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine?
N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine has a molecular weight of 344.52 g/mol, XLogP of 0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 66378170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).