3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol

C11H19NO2S — CID 115882869

IUPAC3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
SMILESCc1ccsc1CN(CCO)CCCO
InChIInChI=1S/C11H19NO2S/c1-10-3-8-15-11(10)9-12(5-7-14)4-2-6-13/h3,8,13-14H,2,4-7,9H2,1H3
InChIKeyJHFGLEFZOUIIQX-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.23
Rot. Bonds7

About 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol

3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol (PubChem CID 115882869) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
PubChem CID115882869
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
SMILESCc1ccsc1CN(CCO)CCCO
InChIInChI=1S/C11H19NO2S/c1-10-3-8-15-11(10)9-12(5-7-14)4-2-6-13/h3,8,13-14H,2,4-7,9H2,1H3
InChIKeyJHFGLEFZOUIIQX-UHFFFAOYSA-N
XLogP1.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one
CID 91835377
4-[cyclopropyl-[(3-methylthiophen-2-yl)methyl]amino]butan-1-ol
CID 115882968
N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
CID 107364753
3-[2-[[butyl(2-hydroxyethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76917676
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
CID 172777676
CID 172777676
2-(3-bromopropyl)-3-methylthiophene
CID 19688419
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-(bromomethyl)-3-methylthiophene
CID 18463526

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol (CID 115882869) is 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol is Cc1ccsc1CN(CCO)CCCO.
What is the InChIKey of 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
The InChIKey is JHFGLEFZOUIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10-3-8-15-11(10)9-12(5-7-14)4-2-6-13/h3,8,13-14H,2,4-7,9H2,1H3.
What are the key properties of 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115882869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).