(1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol

C9H13NOS — CID 94252939

IUPAC(1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
SMILESNC[C@](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/t9-/m1/s1
InChIKeyQDWWUXYCZAGBEE-SECBINFHSA-N
MW183.28 g/mol
LogP1.30
Rot. Bonds3

About (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol

(1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol (PubChem CID 94252939) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
PubChem CID94252939
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol
SMILESNC[C@](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/t9-/m1/s1
InChIKeyQDWWUXYCZAGBEE-SECBINFHSA-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

Analyze (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol (CID 94252939) is (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol is NC[C@](O)(c1cccs1)C1CC1.
What is the InChIKey of (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
The InChIKey is QDWWUXYCZAGBEE-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol?
(1S)-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 (1S)-2-amino-1-cyclopropyl-1-thiophen-2-ylethanol is sourced from PubChem (CID 94252939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).