2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol

C10H15NOS — CID 61310584

IUPAC2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol
SMILESOCC(NCc1cccs1)C1CC1
InChIInChI=1S/C10H15NOS/c12-7-10(8-3-4-8)11-6-9-2-1-5-13-9/h1-2,5,8,10-12H,3-4,6-7H2
InChIKeyQIRHKPNHVBNACX-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.61
Rot. Bonds5

About 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol

2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 61310584) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID61310584
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol
SMILESOCC(NCc1cccs1)C1CC1
InChIInChI=1S/C10H15NOS/c12-7-10(8-3-4-8)11-6-9-2-1-5-13-9/h1-2,5,8,10-12H,3-4,6-7H2
InChIKeyQIRHKPNHVBNACX-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol (CID 61310584) is 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol is OCC(NCc1cccs1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is QIRHKPNHVBNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c12-7-10(8-3-4-8)11-6-9-2-1-5-13-9/h1-2,5,8,10-12H,3-4,6-7H2.
What are the key properties of 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol?
2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 197.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 61310584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).