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

C10H16N2S — CID 116936073

IUPAC2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
SMILESNC(CC1CCNC1)c1cccs1
InChIInChI=1S/C10H16N2S/c11-9(10-2-1-5-13-10)6-8-3-4-12-7-8/h1-2,5,8-9,12H,3-4,6-7,11H2
InChIKeyQPUDYDUSUDRLLD-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.75
Rot. Bonds3

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

2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine (PubChem CID 116936073) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
PubChem CID116936073
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
SMILESNC(CC1CCNC1)c1cccs1
InChIInChI=1S/C10H16N2S/c11-9(10-2-1-5-13-10)6-8-3-4-12-7-8/h1-2,5,8-9,12H,3-4,6-7,11H2
InChIKeyQPUDYDUSUDRLLD-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
2-pyrrolidin-2-yl-1-thiophen-2-ylethanamine
CID 116935934
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278796
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol
CID 164650141
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine (CID 116936073) is 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine is NC(CC1CCNC1)c1cccs1.
What is the InChIKey of 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine?
The InChIKey is QPUDYDUSUDRLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c11-9(10-2-1-5-13-10)6-8-3-4-12-7-8/h1-2,5,8-9,12H,3-4,6-7,11H2.
What are the key properties of 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine?
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 116936073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).