[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C13H24N2O3S2 — CID 66375815

IUPAC[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1CCCC1CN
InChIInChI=1S/C13H24N2O3S2/c1-2-20(17,18)12-9-19-7-6-15(12)13(16)11-5-3-4-10(11)8-14/h10-12H,2-9,14H2,1H3
InChIKeyNVAVXKORFDXUFP-UHFFFAOYSA-N
MW320.48 g/mol
LogP0.70
Rot. Bonds4

About [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone

[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66375815) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66375815
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1CCCC1CN
InChIInChI=1S/C13H24N2O3S2/c1-2-20(17,18)12-9-19-7-6-15(12)13(16)11-5-3-4-10(11)8-14/h10-12H,2-9,14H2,1H3
InChIKeyNVAVXKORFDXUFP-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone 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

2-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 66377123
(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376972
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 102893294
3-chloro-1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 66376553
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 79256888
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
CID 107436946
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
1-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclobutane-1-carbothioamide
CID 80590660
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 66375815) is [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)C1CCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is NVAVXKORFDXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-2-20(17,18)12-9-19-7-6-15(12)13(16)11-5-3-4-10(11)8-14/h10-12H,2-9,14H2,1H3.
What are the key properties of [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 320.48 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66375815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).