2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol

C13H21NOS — CID 115907951

IUPAC2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(CO)NCC1CCCC1
InChIInChI=1S/C13H21NOS/c1-10-6-7-16-13(10)12(9-15)14-8-11-4-2-3-5-11/h6-7,11-12,14-15H,2-5,8-9H2,1H3
InChIKeyRWYARSJCVMGRSP-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.87
Rot. Bonds5

About 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol

2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol (PubChem CID 115907951) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
PubChem CID115907951
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(CO)NCC1CCCC1
InChIInChI=1S/C13H21NOS/c1-10-6-7-16-13(10)12(9-15)14-8-11-4-2-3-5-11/h6-7,11-12,14-15H,2-5,8-9H2,1H3
InChIKeyRWYARSJCVMGRSP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol 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-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992298
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol (CID 115907951) is 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(CO)NCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol?
The InChIKey is RWYARSJCVMGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-6-7-16-13(10)12(9-15)14-8-11-4-2-3-5-11/h6-7,11-12,14-15H,2-5,8-9H2,1H3.
What are the key properties of 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol?
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol has a molecular weight of 239.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 115907951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).