2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol

C10H15NOS — CID 115669656

IUPAC2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
SMILESC=CCN(CCO)Cc1cccs1
InChIInChI=1S/C10H15NOS/c1-2-5-11(6-7-12)9-10-4-3-8-13-10/h2-4,8,12H,1,5-7,9H2
InChIKeyNIBBSWYAYBYEOS-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.73
Rot. Bonds6

About 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol

2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 115669656) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
PubChem CID115669656
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
SMILESC=CCN(CCO)Cc1cccs1
InChIInChI=1S/C10H15NOS/c1-2-5-11(6-7-12)9-10-4-3-8-13-10/h2-4,8,12H,1,5-7,9H2
InChIKeyNIBBSWYAYBYEOS-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613846
N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide
CID 134041904
2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
CID 134702822
5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897652
2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol
CID 115883253
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
CID 115631668

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol (CID 115669656) is 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol is C=CCN(CCO)Cc1cccs1.
What is the InChIKey of 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is NIBBSWYAYBYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-5-11(6-7-12)9-10-4-3-8-13-10/h2-4,8,12H,1,5-7,9H2.
What are the key properties of 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol?
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 197.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 115669656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).