1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol

C10H14ClNOS — CID 82115917

IUPAC1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol
SMILESCNCC(O)(c1ccc(Cl)s1)C1CC1
InChIInChI=1S/C10H14ClNOS/c1-12-6-10(13,7-2-3-7)8-4-5-9(11)14-8/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyZEUDDCDWVWKECG-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.22
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol

1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol (PubChem CID 82115917) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol
PubChem CID82115917
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol
SMILESCNCC(O)(c1ccc(Cl)s1)C1CC1
InChIInChI=1S/C10H14ClNOS/c1-12-6-10(13,7-2-3-7)8-4-5-9(11)14-8/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyZEUDDCDWVWKECG-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol 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 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol (CID 82115917) is 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol is CNCC(O)(c1ccc(Cl)s1)C1CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol?
The InChIKey is ZEUDDCDWVWKECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-12-6-10(13,7-2-3-7)8-4-5-9(11)14-8/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol?
1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol has a molecular weight of 231.75 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-cyclopropyl-2-(methylamino)ethanol is sourced from PubChem (CID 82115917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).