methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate

C14H21NO2S — CID 79857054

IUPACmethyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCc2cccs2)CCCC1(C)C
InChIInChI=1S/C14H21NO2S/c1-13(2)7-5-8-14(13,12(16)17-3)15-10-11-6-4-9-18-11/h4,6,9,15H,5,7-8,10H2,1-3H3
InChIKeyQYUPGKQCXBMNGS-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.96
Rot. Bonds4

About methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate

methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate (PubChem CID 79857054) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
PubChem CID79857054
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Namemethyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCc2cccs2)CCCC1(C)C
InChIInChI=1S/C14H21NO2S/c1-13(2)7-5-8-14(13,12(16)17-3)15-10-11-6-4-9-18-11/h4,6,9,15H,5,7-8,10H2,1-3H3
InChIKeyQYUPGKQCXBMNGS-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate 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

methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 61001704
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
CID 114818394
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate (CID 79857054) is methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate is COC(=O)C1(NCc2cccs2)CCCC1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate?
The InChIKey is QYUPGKQCXBMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-13(2)7-5-8-14(13,12(16)17-3)15-10-11-6-4-9-18-11/h4,6,9,15H,5,7-8,10H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate?
methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79857054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).