1-(methylamino)-1-thiophen-2-ylpropan-1-ol

C8H13NOS — CID 23070248

IUPAC1-(methylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCCC(O)(NC)c1cccs1
InChIInChI=1S/C8H13NOS/c1-3-8(10,9-2)7-5-4-6-11-7/h4-6,9-10H,3H2,1-2H3
InChIKeyHBTCWSLIURFQCG-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(methylamino)-1-thiophen-2-ylpropan-1-ol

1-(methylamino)-1-thiophen-2-ylpropan-1-ol (PubChem CID 23070248) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(methylamino)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(methylamino)-1-thiophen-2-ylpropan-1-ol
PubChem CID23070248
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name1-(methylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCCC(O)(NC)c1cccs1
InChIInChI=1S/C8H13NOS/c1-3-8(10,9-2)7-5-4-6-11-7/h4-6,9-10H,3H2,1-2H3
InChIKeyHBTCWSLIURFQCG-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
1-thiophen-2-ylpropane-1,1-dithiol
CID 154261412
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
CID 66989083
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111485911
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine
CID 83107390
1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol
CID 64749351
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate
CID 10585413
1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 63220765

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(methylamino)-1-thiophen-2-ylpropan-1-ol (CID 23070248) is 1-(methylamino)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(methylamino)-1-thiophen-2-ylpropan-1-ol is CCC(O)(NC)c1cccs1.
What is the InChIKey of 1-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is HBTCWSLIURFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-8(10,9-2)7-5-4-6-11-7/h4-6,9-10H,3H2,1-2H3.
What are the key properties of 1-(methylamino)-1-thiophen-2-ylpropan-1-ol?
1-(methylamino)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 23070248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).