[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine

C13H26N2O2S3 — CID 79951740

IUPAC[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1C1(CN)CCCSC1C
InChIInChI=1S/C13H26N2O2S3/c1-3-20(16,17)12-9-18-8-6-15(12)13(10-14)5-4-7-19-11(13)2/h11-12H,3-10,14H2,1-2H3
InChIKeyQTGYUUIYWMXROI-UHFFFAOYSA-N
MW338.56 g/mol
LogP1.41
Rot. Bonds4

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

[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine (PubChem CID 79951740) has the molecular formula C13H26N2O2S3 and a molecular weight of 338.56 g/mol. Its IUPAC name is [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine
PubChem CID79951740
Molecular FormulaC13H26N2O2S3
Molecular Weight338.56 g/mol
Exact Mass338.12
IUPAC Name[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1C1(CN)CCCSC1C
InChIInChI=1S/C13H26N2O2S3/c1-3-20(16,17)12-9-18-8-6-15(12)13(10-14)5-4-7-19-11(13)2/h11-12H,3-10,14H2,1-2H3
InChIKeyQTGYUUIYWMXROI-UHFFFAOYSA-N
XLogP1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]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-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
CID 66383120
1-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66377381
[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
CID 106663210
[3-(2-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 104689394
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
[3-(4-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 79951737
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine
CID 106976470
[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
CID 66384310

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine?
The IUPAC name of [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine (CID 79951740) is [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine?
The canonical SMILES for [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine is CCS(=O)(=O)C1CSCCN1C1(CN)CCCSC1C.
What is the InChIKey of [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine?
The InChIKey is QTGYUUIYWMXROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S3/c1-3-20(16,17)12-9-18-8-6-15(12)13(10-14)5-4-7-19-11(13)2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine?
[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine has a molecular weight of 338.56 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine is sourced from PubChem (CID 79951740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).