3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol

C11H19NO2S — CID 115122472

IUPAC3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
SMILESCc1ccsc1CCN(C)CC(O)CO
InChIInChI=1S/C11H19NO2S/c1-9-4-6-15-11(9)3-5-12(2)7-10(14)8-13/h4,6,10,13-14H,3,5,7-8H2,1-2H3
InChIKeyHBFSROIHSKLTMI-UHFFFAOYSA-N
MW229.34 g/mol
LogP0.88
Rot. Bonds6

About 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol

3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol (PubChem CID 115122472) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
PubChem CID115122472
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
SMILESCc1ccsc1CCN(C)CC(O)CO
InChIInChI=1S/C11H19NO2S/c1-9-4-6-15-11(9)3-5-12(2)7-10(14)8-13/h4,6,10,13-14H,3,5,7-8H2,1-2H3
InChIKeyHBFSROIHSKLTMI-UHFFFAOYSA-N
XLogP0.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254717
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
CID 115130607
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592
N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide
CID 115177003
4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-ol
CID 79995429
CID 172777676
CID 172777676
2-(3-bromopropyl)-3-methylthiophene
CID 19688419

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol?
The IUPAC name of 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol (CID 115122472) is 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol is Cc1ccsc1CCN(C)CC(O)CO.
What is the InChIKey of 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol?
The InChIKey is HBFSROIHSKLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-9-4-6-15-11(9)3-5-12(2)7-10(14)8-13/h4,6,10,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol?
3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol has a molecular weight of 229.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol is sourced from PubChem (CID 115122472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).