1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol

C11H17NO2S — CID 63296586

IUPAC1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
SMILESOC(CNCC(O)C1CC1)c1cccs1
InChIInChI=1S/C11H17NO2S/c13-9(8-3-4-8)6-12-7-10(14)11-2-1-5-15-11/h1-2,5,8-10,12-14H,3-4,6-7H2
InChIKeyURCQNLRPVPXTAO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.14
Rot. Bonds6

About 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol

1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol (PubChem CID 63296586) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
PubChem CID63296586
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
SMILESOC(CNCC(O)C1CC1)c1cccs1
InChIInChI=1S/C11H17NO2S/c13-9(8-3-4-8)6-12-7-10(14)11-2-1-5-15-11/h1-2,5,8-10,12-14H,3-4,6-7H2
InChIKeyURCQNLRPVPXTAO-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
CID 113227942
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
2-(thian-4-yl)-1-thiophen-2-ylethanol
CID 105079885
2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
CID 61020491
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol (CID 63296586) is 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol is OC(CNCC(O)C1CC1)c1cccs1.
What is the InChIKey of 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol?
The InChIKey is URCQNLRPVPXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-9(8-3-4-8)6-12-7-10(14)11-2-1-5-15-11/h1-2,5,8-10,12-14H,3-4,6-7H2.
What are the key properties of 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol?
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol is sourced from PubChem (CID 63296586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).