(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine

C8H13NOS — CID 94868216

IUPAC(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
SMILESCOC[C@@H](N)Cc1cccs1
InChIInChI=1S/C8H13NOS/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3/t7-/m0/s1
InChIKeyHEGFOQXQVNOBFO-ZETCQYMHSA-N
MW171.27 g/mol
LogP1.26
Rot. Bonds4

About (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine

(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine (PubChem CID 94868216) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
PubChem CID94868216
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
SMILESCOC[C@@H](N)Cc1cccs1
InChIInChI=1S/C8H13NOS/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3/t7-/m0/s1
InChIKeyHEGFOQXQVNOBFO-ZETCQYMHSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
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1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
CID 103556889
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
1-thiophen-2-yltridecan-2-amine
CID 65428259
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine (CID 94868216) is (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine is COC[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine?
The InChIKey is HEGFOQXQVNOBFO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NOS/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine?
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 94868216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).