2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine

C11H18N2S — CID 57323316

IUPAC2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine
SMILESCC(C(N)c1ccsc1)N1CCCC1
InChIInChI=1S/C11H18N2S/c1-9(13-5-2-3-6-13)11(12)10-4-7-14-8-10/h4,7-9,11H,2-3,5-6,12H2,1H3
InChIKeyNQFGPCAOVKEDQV-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.23
Rot. Bonds3

About 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine

2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine (PubChem CID 57323316) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine
PubChem CID57323316
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine
SMILESCC(C(N)c1ccsc1)N1CCCC1
InChIInChI=1S/C11H18N2S/c1-9(13-5-2-3-6-13)11(12)10-4-7-14-8-10/h4,7-9,11H,2-3,5-6,12H2,1H3
InChIKeyNQFGPCAOVKEDQV-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.23
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-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine (CID 57323316) is 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine is CC(C(N)c1ccsc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is NQFGPCAOVKEDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(13-5-2-3-6-13)11(12)10-4-7-14-8-10/h4,7-9,11H,2-3,5-6,12H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine?
2-pyrrolidin-1-yl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.23, 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-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 57323316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).