2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol

C9H13NOS — CID 112545585

IUPAC2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol
SMILESNCCc1sc(C2CC2)cc1O
InChIInChI=1S/C9H13NOS/c10-4-3-8-7(11)5-9(12-8)6-1-2-6/h5-6,11H,1-4,10H2
InChIKeyQQFDVJYPWVENGC-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.83
Rot. Bonds3

About 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol

2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol (PubChem CID 112545585) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol
PubChem CID112545585
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol
SMILESNCCc1sc(C2CC2)cc1O
InChIInChI=1S/C9H13NOS/c10-4-3-8-7(11)5-9(12-8)6-1-2-6/h5-6,11H,1-4,10H2
InChIKeyQQFDVJYPWVENGC-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol?
The IUPAC name of 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol (CID 112545585) is 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol.
What is the SMILES notation for 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol?
The canonical SMILES for 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol is NCCc1sc(C2CC2)cc1O.
What is the InChIKey of 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol?
The InChIKey is QQFDVJYPWVENGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-4-3-8-7(11)5-9(12-8)6-1-2-6/h5-6,11H,1-4,10H2.
What are the key properties of 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol?
2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol has a molecular weight of 183.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-cyclopropylthiophen-3-ol is sourced from PubChem (CID 112545585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).