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

C8H13NOS — CID 117240343

IUPAC3-(methylamino)-2-thiophen-2-ylpropan-1-ol
SMILESCNCC(CO)c1cccs1
InChIInChI=1S/C8H13NOS/c1-9-5-7(6-10)8-3-2-4-11-8/h2-4,7,9-10H,5-6H2,1H3
InChIKeyCDRHHJDLJAVIOR-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.04
Rot. Bonds4

About 3-(methylamino)-2-thiophen-2-ylpropan-1-ol

3-(methylamino)-2-thiophen-2-ylpropan-1-ol (PubChem CID 117240343) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 3-(methylamino)-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-2-thiophen-2-ylpropan-1-ol
PubChem CID117240343
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name3-(methylamino)-2-thiophen-2-ylpropan-1-ol
SMILESCNCC(CO)c1cccs1
InChIInChI=1S/C8H13NOS/c1-9-5-7(6-10)8-3-2-4-11-8/h2-4,7,9-10H,5-6H2,1H3
InChIKeyCDRHHJDLJAVIOR-UHFFFAOYSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-2-thiophen-2-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
3-sulfanyl-2-thiophen-2-ylpropan-1-ol
CID 117240751
3-(methylamino)-2-pyridin-4-ylpropan-1-ol
CID 117246508
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
3-piperidin-1-yl-2-thiophen-2-ylpropan-1-ol
CID 117240379
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
N-(3-amino-2-thiophen-2-ylpropyl)acetamide
CID 46186346

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(methylamino)-2-thiophen-2-ylpropan-1-ol (CID 117240343) is 3-(methylamino)-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(methylamino)-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(methylamino)-2-thiophen-2-ylpropan-1-ol is CNCC(CO)c1cccs1.
What is the InChIKey of 3-(methylamino)-2-thiophen-2-ylpropan-1-ol?
The InChIKey is CDRHHJDLJAVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-9-5-7(6-10)8-3-2-4-11-8/h2-4,7,9-10H,5-6H2,1H3.
What are the key properties of 3-(methylamino)-2-thiophen-2-ylpropan-1-ol?
3-(methylamino)-2-thiophen-2-ylpropan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 117240343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).