methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate

C11H21NO2S — CID 79863385

IUPACmethyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate
SMILESCNC1C(SCC(=O)OC)CCC1(C)C
InChIInChI=1S/C11H21NO2S/c1-11(2)6-5-8(10(11)12-3)15-7-9(13)14-4/h8,10,12H,5-7H2,1-4H3
InChIKeyCZMSGYVWSCIKJH-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate

methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate (PubChem CID 79863385) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate
PubChem CID79863385
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namemethyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate
SMILESCNC1C(SCC(=O)OC)CCC1(C)C
InChIInChI=1S/C11H21NO2S/c1-11(2)6-5-8(10(11)12-3)15-7-9(13)14-4/h8,10,12H,5-7H2,1-4H3
InChIKeyCZMSGYVWSCIKJH-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate?
The IUPAC name of methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate (CID 79863385) is methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate?
The canonical SMILES for methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate is CNC1C(SCC(=O)OC)CCC1(C)C.
What is the InChIKey of methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate?
The InChIKey is CZMSGYVWSCIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(2)6-5-8(10(11)12-3)15-7-9(13)14-4/h8,10,12H,5-7H2,1-4H3.
What are the key properties of methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate?
methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate has a molecular weight of 231.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate is sourced from PubChem (CID 79863385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).