3-(1-thiophen-3-ylethylamino)propan-1-ol

C9H15NOS — CID 53274757

IUPAC3-(1-thiophen-3-ylethylamino)propan-1-ol
SMILESCC(NCCCO)c1ccsc1
InChIInChI=1S/C9H15NOS/c1-8(10-4-2-5-11)9-3-6-12-7-9/h3,6-8,10-11H,2,4-5H2,1H3
InChIKeyKYSCHXCDXRFUKF-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.78
Rot. Bonds5

About 3-(1-thiophen-3-ylethylamino)propan-1-ol

3-(1-thiophen-3-ylethylamino)propan-1-ol (PubChem CID 53274757) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-thiophen-3-ylethylamino)propan-1-ol
PubChem CID53274757
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-(1-thiophen-3-ylethylamino)propan-1-ol
SMILESCC(NCCCO)c1ccsc1
InChIInChI=1S/C9H15NOS/c1-8(10-4-2-5-11)9-3-6-12-7-9/h3,6-8,10-11H,2,4-5H2,1H3
InChIKeyKYSCHXCDXRFUKF-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-thiophen-3-ylethylamino)propan-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

N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 103898870
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-3-ylethylamino)propan-1-ol?
The IUPAC name of 3-(1-thiophen-3-ylethylamino)propan-1-ol (CID 53274757) is 3-(1-thiophen-3-ylethylamino)propan-1-ol.
What is the SMILES notation for 3-(1-thiophen-3-ylethylamino)propan-1-ol?
The canonical SMILES for 3-(1-thiophen-3-ylethylamino)propan-1-ol is CC(NCCCO)c1ccsc1.
What is the InChIKey of 3-(1-thiophen-3-ylethylamino)propan-1-ol?
The InChIKey is KYSCHXCDXRFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8(10-4-2-5-11)9-3-6-12-7-9/h3,6-8,10-11H,2,4-5H2,1H3.
What are the key properties of 3-(1-thiophen-3-ylethylamino)propan-1-ol?
3-(1-thiophen-3-ylethylamino)propan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylethylamino)propan-1-ol is sourced from PubChem (CID 53274757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).