2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine

C12H20N2S — CID 51619115

IUPAC2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine
SMILESCc1cc([C@@H]2CCCN2CCN)sc1C
InChIInChI=1S/C12H20N2S/c1-9-8-12(15-10(9)2)11-4-3-6-14(11)7-5-13/h8,11H,3-7,13H2,1-2H3/t11-/m0/s1
InChIKeyWANDVQYSFFJOEI-NSHDSACASA-N
MW224.37 g/mol
LogP2.46
Rot. Bonds3

About 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine

2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 51619115) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine
PubChem CID51619115
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine
SMILESCc1cc([C@@H]2CCCN2CCN)sc1C
InChIInChI=1S/C12H20N2S/c1-9-8-12(15-10(9)2)11-4-3-6-14(11)7-5-13/h8,11H,3-7,13H2,1-2H3/t11-/m0/s1
InChIKeyWANDVQYSFFJOEI-NSHDSACASA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine (CID 51619115) is 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine is Cc1cc([C@@H]2CCCN2CCN)sc1C.
What is the InChIKey of 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is WANDVQYSFFJOEI-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-8-12(15-10(9)2)11-4-3-6-14(11)7-5-13/h8,11H,3-7,13H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine?
2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 51619115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).