1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine

C9H15NO2S — CID 79492317

IUPAC1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
SMILESCOC(OC)C(N)Cc1cccs1
InChIInChI=1S/C9H15NO2S/c1-11-9(12-2)8(10)6-7-4-3-5-13-7/h3-5,8-9H,6,10H2,1-2H3
InChIKeyQVPZOKAWSRDTDR-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.24
Rot. Bonds5

About 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine

1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine (PubChem CID 79492317) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
PubChem CID79492317
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
SMILESCOC(OC)C(N)Cc1cccs1
InChIInChI=1S/C9H15NO2S/c1-11-9(12-2)8(10)6-7-4-3-5-13-7/h3-5,8-9H,6,10H2,1-2H3
InChIKeyQVPZOKAWSRDTDR-UHFFFAOYSA-N
XLogP1.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
2-(2-methoxy-4-methylpentyl)thiophene
CID 56988379
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine (CID 79492317) is 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine is COC(OC)C(N)Cc1cccs1.
What is the InChIKey of 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine?
The InChIKey is QVPZOKAWSRDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-11-9(12-2)8(10)6-7-4-3-5-13-7/h3-5,8-9H,6,10H2,1-2H3.
What are the key properties of 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine?
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79492317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).