(1R)-2-(propylamino)-1-thiophen-2-ylethanol

C9H15NOS — CID 39237770

IUPAC(1R)-2-(propylamino)-1-thiophen-2-ylethanol
SMILESCCCNC[C@@H](O)c1cccs1
InChIInChI=1S/C9H15NOS/c1-2-5-10-7-8(11)9-4-3-6-12-9/h3-4,6,8,10-11H,2,5,7H2,1H3/t8-/m1/s1
InChIKeyYRTOJZMRYPXEKY-MRVPVSSYSA-N
MW185.29 g/mol
LogP1.78
Rot. Bonds5

About (1R)-2-(propylamino)-1-thiophen-2-ylethanol

(1R)-2-(propylamino)-1-thiophen-2-ylethanol (PubChem CID 39237770) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (1R)-2-(propylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2-(propylamino)-1-thiophen-2-ylethanol
PubChem CID39237770
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(1R)-2-(propylamino)-1-thiophen-2-ylethanol
SMILESCCCNC[C@@H](O)c1cccs1
InChIInChI=1S/C9H15NOS/c1-2-5-10-7-8(11)9-4-3-6-12-9/h3-4,6,8,10-11H,2,5,7H2,1H3/t8-/m1/s1
InChIKeyYRTOJZMRYPXEKY-MRVPVSSYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
CID 114164876
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
CID 114467683
N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
CID 113221919
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344
2-[2-(1-methylpyrazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
CID 106104586

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(propylamino)-1-thiophen-2-ylethanol?
The IUPAC name of (1R)-2-(propylamino)-1-thiophen-2-ylethanol (CID 39237770) is (1R)-2-(propylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for (1R)-2-(propylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for (1R)-2-(propylamino)-1-thiophen-2-ylethanol is CCCNC[C@@H](O)c1cccs1.
What is the InChIKey of (1R)-2-(propylamino)-1-thiophen-2-ylethanol?
The InChIKey is YRTOJZMRYPXEKY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-5-10-7-8(11)9-4-3-6-12-9/h3-4,6,8,10-11H,2,5,7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-2-(propylamino)-1-thiophen-2-ylethanol?
(1R)-2-(propylamino)-1-thiophen-2-ylethanol has a molecular weight of 185.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(propylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 39237770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).