1-thiophen-3-ylpyrrolidin-3-amine

C8H12N2S — CID 65099888

IUPAC1-thiophen-3-ylpyrrolidin-3-amine
SMILESNC1CCN(c2ccsc2)C1
InChIInChI=1S/C8H12N2S/c9-7-1-3-10(5-7)8-2-4-11-6-8/h2,4,6-7H,1,3,5,9H2
InChIKeyBTGWGOVLQZXCLW-UHFFFAOYSA-N
MW168.27 g/mol
LogP1.29
Rot. Bonds1

About 1-thiophen-3-ylpyrrolidin-3-amine

1-thiophen-3-ylpyrrolidin-3-amine (PubChem CID 65099888) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 1-thiophen-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-thiophen-3-ylpyrrolidin-3-amine
PubChem CID65099888
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name1-thiophen-3-ylpyrrolidin-3-amine
SMILESNC1CCN(c2ccsc2)C1
InChIInChI=1S/C8H12N2S/c9-7-1-3-10(5-7)8-2-4-11-6-8/h2,4,6-7H,1,3,5,9H2
InChIKeyBTGWGOVLQZXCLW-UHFFFAOYSA-N
XLogP1.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpyrrolidin-3-amine?
The IUPAC name of 1-thiophen-3-ylpyrrolidin-3-amine (CID 65099888) is 1-thiophen-3-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-thiophen-3-ylpyrrolidin-3-amine?
The canonical SMILES for 1-thiophen-3-ylpyrrolidin-3-amine is NC1CCN(c2ccsc2)C1.
What is the InChIKey of 1-thiophen-3-ylpyrrolidin-3-amine?
The InChIKey is BTGWGOVLQZXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-7-1-3-10(5-7)8-2-4-11-6-8/h2,4,6-7H,1,3,5,9H2.
What are the key properties of 1-thiophen-3-ylpyrrolidin-3-amine?
1-thiophen-3-ylpyrrolidin-3-amine has a molecular weight of 168.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 65099888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).