2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol

C10H17NO2S — CID 65312373

IUPAC2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
SMILESCCc1ccc(CNC(CO)CO)s1
InChIInChI=1S/C10H17NO2S/c1-2-9-3-4-10(14-9)5-11-8(6-12)7-13/h3-4,8,11-13H,2,5-7H2,1H3
InChIKeyXLFVVPSYIMIXSE-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.75
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol

2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol (PubChem CID 65312373) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
PubChem CID65312373
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
SMILESCCc1ccc(CNC(CO)CO)s1
InChIInChI=1S/C10H17NO2S/c1-2-9-3-4-10(14-9)5-11-8(6-12)7-13/h3-4,8,11-13H,2,5-7H2,1H3
InChIKeyXLFVVPSYIMIXSE-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
1-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65025603
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
2,5-diethylthiophene
CID 521294
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol (CID 65312373) is 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol is CCc1ccc(CNC(CO)CO)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol?
The InChIKey is XLFVVPSYIMIXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-9-3-4-10(14-9)5-11-8(6-12)7-13/h3-4,8,11-13H,2,5-7H2,1H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol?
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol has a molecular weight of 215.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 65312373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).