5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol

C11H19NOS — CID 81408361

IUPAC5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
SMILESC[C@H](NCCCCCO)c1cccs1
InChIInChI=1S/C11H19NOS/c1-10(11-6-5-9-14-11)12-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8H2,1H3/t10-/m0/s1
InChIKeyHKUGFXMIKUDJRC-JTQLQIEISA-N
MW213.35 g/mol
LogP2.56
Rot. Bonds7

About 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol

5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol (PubChem CID 81408361) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
PubChem CID81408361
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
SMILESC[C@H](NCCCCCO)c1cccs1
InChIInChI=1S/C11H19NOS/c1-10(11-6-5-9-14-11)12-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8H2,1H3/t10-/m0/s1
InChIKeyHKUGFXMIKUDJRC-JTQLQIEISA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-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-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
ethyl 6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanoate
CID 81408777
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol (CID 81408361) is 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol is C[C@H](NCCCCCO)c1cccs1.
What is the InChIKey of 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol?
The InChIKey is HKUGFXMIKUDJRC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NOS/c1-10(11-6-5-9-14-11)12-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8H2,1H3/t10-/m0/s1.
What are the key properties of 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol?
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol is sourced from PubChem (CID 81408361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).