[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine

C14H28N2O2S2 — CID 106663210

IUPAC[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S2/c1-11-7-13(2,3)9-14(11,10-15)16-5-6-19-8-12(16)20(4,17)18/h11-12H,5-10,15H2,1-4H3
InChIKeyDWXOEDZWMVMHBD-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.56
Rot. Bonds3

About [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine

[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine (PubChem CID 106663210) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
PubChem CID106663210
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S2/c1-11-7-13(2,3)9-14(11,10-15)16-5-6-19-8-12(16)20(4,17)18/h11-12H,5-10,15H2,1-4H3
InChIKeyDWXOEDZWMVMHBD-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]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

[5,5-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79957961
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
[4,4-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79948822
[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine
CID 66384302
[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine
CID 79951740
[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
CID 66384310
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663272
[1-(2,5-dimethylmorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106662992
[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663047
[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
CID 66383120
2-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylethanamine
CID 66381780

Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine?
The IUPAC name of [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine (CID 106663210) is [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine?
The InChIKey is DWXOEDZWMVMHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-11-7-13(2,3)9-14(11,10-15)16-5-6-19-8-12(16)20(4,17)18/h11-12H,5-10,15H2,1-4H3.
What are the key properties of [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine?
[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine has a molecular weight of 320.52 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 106663210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).