1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C14H24N2O3S2 — CID 102893294

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1NCC2CCCC21
InChIInChI=1S/C14H24N2O3S2/c1-2-21(18,19)12-9-20-7-6-16(12)14(17)13-11-5-3-4-10(11)8-15-13/h10-13,15H,2-9H2,1H3
InChIKeyCLGPCJGALPTDJQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP0.71
Rot. Bonds3

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 102893294) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID102893294
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1NCC2CCCC21
InChIInChI=1S/C14H24N2O3S2/c1-2-21(18,19)12-9-20-7-6-16(12)14(17)13-11-5-3-4-10(11)8-15-13/h10-13,15H,2-9H2,1H3
InChIKeyCLGPCJGALPTDJQ-UHFFFAOYSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(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

(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66375815
(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
CID 66378520
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
CID 107436946
2-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 66377123
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376972
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77135692
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
(2R)-1-(3-ethylsulfonylthiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 66377773
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 66378127

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 102893294) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)C1NCC2CCCC21.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is CLGPCJGALPTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-2-21(18,19)12-9-20-7-6-16(12)14(17)13-11-5-3-4-10(11)8-15-13/h10-13,15H,2-9H2,1H3.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 332.49 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 102893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).