ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen

C12H27NOS — CID 177035877

IUPACethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
SMILESCC.CC.COC[C@@H](N)Cc1cccs1.[H][H]
InChIInChI=1S/C8H13NOS.2C2H6.H2/c1-10-6-7(9)5-8-3-2-4-11-8;2*1-2;/h2-4,7H,5-6,9H2,1H3;2*1-2H3;1H/t7-;;;/m0.../s1
InChIKeyVSWGBTWVOVEDAA-QTPLPEIMSA-N
MW233.42 g/mol
LogP3.56
Rot. Bonds4

About ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen

ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen (PubChem CID 177035877) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
PubChem CID177035877
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Nameethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
SMILESCC.CC.COC[C@@H](N)Cc1cccs1.[H][H]
InChIInChI=1S/C8H13NOS.2C2H6.H2/c1-10-6-7(9)5-8-3-2-4-11-8;2*1-2;/h2-4,7H,5-6,9H2,1H3;2*1-2H3;1H/t7-;;;/m0.../s1
InChIKeyVSWGBTWVOVEDAA-QTPLPEIMSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
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
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen?
The IUPAC name of ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen (CID 177035877) is ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen.
What is the SMILES notation for ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen?
The canonical SMILES for ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen is CC.CC.COC[C@@H](N)Cc1cccs1.[H][H].
What is the InChIKey of ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen?
The InChIKey is VSWGBTWVOVEDAA-QTPLPEIMSA-N. The full InChI is InChI=1S/C8H13NOS.2C2H6.H2/c1-10-6-7(9)5-8-3-2-4-11-8;2*1-2;/h2-4,7H,5-6,9H2,1H3;2*1-2H3;1H/t7-;;;/m0.../s1.
What are the key properties of ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen?
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen has a molecular weight of 233.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen is sourced from PubChem (CID 177035877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).