(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

C12H21NO2S — CID 93163327

IUPAC(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCOCCN(Cc1ccc(C)s1)C[C@H](C)O
InChIInChI=1S/C12H21NO2S/c1-10(14)8-13(6-7-15-3)9-12-5-4-11(2)16-12/h4-5,10,14H,6-9H2,1-3H3/t10-/m0/s1
InChIKeyFSMWZWXOGOFBPA-JTQLQIEISA-N
MW243.37 g/mol
LogP1.89
Rot. Bonds7

About (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 93163327) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID93163327
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCOCCN(Cc1ccc(C)s1)C[C@H](C)O
InChIInChI=1S/C12H21NO2S/c1-10(14)8-13(6-7-15-3)9-12-5-4-11(2)16-12/h4-5,10,14H,6-9H2,1-3H3/t10-/m0/s1
InChIKeyFSMWZWXOGOFBPA-JTQLQIEISA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

4-(Thiophen-2-ylmethyl)morpholine
CID 240843
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol dihydrochloride
CID 16189723
4-[[5-(Morpholin-4-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 134109842
1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391
N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 71932902
1-{[(5-Methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 3157956
1-({2-[(Thiophen-2-ylmethyl)amino]ethyl}amino)propan-2-ol
CID 2969976
(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 834206
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol
CID 1817922
1-[Butan-2-yl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682356
(2-Methoxyethyl)(prop-2-yn-1-yl)[(thiophen-2-yl)methyl]amine
CID 47014077
2-[2-Methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile
CID 47034633

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 93163327) is (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is COCCN(Cc1ccc(C)s1)C[C@H](C)O.
What is the InChIKey of (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is FSMWZWXOGOFBPA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO2S/c1-10(14)8-13(6-7-15-3)9-12-5-4-11(2)16-12/h4-5,10,14H,6-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 243.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 93163327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).