2-amino-1-cyclopropyl-1-thiophen-2-ylethanol

C9H13NOS — CID 71683829

IUPAC2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
SMILESNCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C9H13NOS/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2
InChIKeyQDWWUXYCZAGBEE-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol

2-amino-1-cyclopropyl-1-thiophen-2-ylethanol (PubChem CID 71683829) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
PubChem CID71683829
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
SMILESNCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C9H13NOS/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2
InChIKeyQDWWUXYCZAGBEE-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2-(thiophen-2-yl)propan-2-ol
CID 24271630
(R)-1-cyclopropyl-2-(o-fluorophenylsulfonylamino)-1-(2-thienyl)-1-ethanol
CID 95982755
(S)-1-amino-2-(2-thienyl)-2-propanol
CID 42183542
N-[2-Cyclopropyl-2-hydroxy-2-(thiophen-2-YL)ethyl]thiophene-2-sulfonamide
CID 71781747
N-[2-hydroxy-2-(thiophen-2-yl)propyl]methanesulfonamide
CID 71782462
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-2-fluorobenzenesulfonamide
CID 71781748
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
CID 95983458
3-Amino-1,1,1-trifluoro-2-(2-thienyl)propan-2-ol
CID 63081206
(1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
CID 94252939
3-Amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol
CID 63081207
3-Amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol
CID 63081208
3-Amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol
CID 65099485

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
The IUPAC name of 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol (CID 71683829) is 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol is NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
The InChIKey is QDWWUXYCZAGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2.
What are the key properties of 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
2-amino-1-cyclopropyl-1-thiophen-2-ylethanol has a molecular weight of 183.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-1-thiophen-2-ylethanol is sourced from PubChem (CID 71683829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).