2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine

C10H16N2S — CID 16787050

IUPAC2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine
SMILESNCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C10H16N2S/c11-7-10(9-3-6-13-8-9)12-4-1-2-5-12/h3,6,8,10H,1-2,4-5,7,11H2
InChIKeyARMCXCSVTGOSHX-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.84
Rot. Bonds3

About 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine

2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine (PubChem CID 16787050) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine
PubChem CID16787050
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine
SMILESNCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C10H16N2S/c11-7-10(9-3-6-13-8-9)12-4-1-2-5-12/h3,6,8,10H,1-2,4-5,7,11H2
InChIKeyARMCXCSVTGOSHX-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine (CID 16787050) is 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine is NCC(c1ccsc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine?
The InChIKey is ARMCXCSVTGOSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c11-7-10(9-3-6-13-8-9)12-4-1-2-5-12/h3,6,8,10H,1-2,4-5,7,11H2.
What are the key properties of 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine?
2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 16787050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).