2-hydroxyethyl(thiophen-3-ylmethyl)azanium

C7H12NOS+ — CID 8622985

IUPAC2-hydroxyethyl(thiophen-3-ylmethyl)azanium
SMILESOCC[NH2+]Cc1ccsc1
InChIInChI=1S/C7H11NOS/c9-3-2-8-5-7-1-4-10-6-7/h1,4,6,8-9H,2-3,5H2/p+1
InChIKeyQAXSMAOCBFMSNC-UHFFFAOYSA-O
MW158.25 g/mol
LogP-0.20
Rot. Bonds4

About 2-hydroxyethyl(thiophen-3-ylmethyl)azanium

2-hydroxyethyl(thiophen-3-ylmethyl)azanium (PubChem CID 8622985) has the molecular formula C7H12NOS+ and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-hydroxyethyl(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl(thiophen-3-ylmethyl)azanium
PubChem CID8622985
Molecular FormulaC7H12NOS+
Molecular Weight158.25 g/mol
Exact Mass158.06
IUPAC Name2-hydroxyethyl(thiophen-3-ylmethyl)azanium
SMILESOCC[NH2+]Cc1ccsc1
InChIInChI=1S/C7H11NOS/c9-3-2-8-5-7-1-4-10-6-7/h1,4,6,8-9H,2-3,5H2/p+1
InChIKeyQAXSMAOCBFMSNC-UHFFFAOYSA-O
XLogP-0.20
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-Methylbut-2-en-1-yl)(3-thienylmethyl)amino]butan-1-ol
CID 46999102
2-Methyl-2-{[(thiophen-3-yl)methyl]amino}propan-1-ol
CID 4723833
(2-Methoxyethyl)(3-thienylmethyl)amine hydrochloride
CID 17332357
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
2-fluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 80694373
N-(thiophen-3-ylmethyl)propan-1-amine
CID 4723846
N-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 4723852
N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733754
1,1,1-Trifluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 61529878
N-(thiophen-3-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65804287
2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine
CID 103081075
1,1-Difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 103731415

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(thiophen-3-ylmethyl)azanium?
The IUPAC name of 2-hydroxyethyl(thiophen-3-ylmethyl)azanium (CID 8622985) is 2-hydroxyethyl(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for 2-hydroxyethyl(thiophen-3-ylmethyl)azanium?
The canonical SMILES for 2-hydroxyethyl(thiophen-3-ylmethyl)azanium is OCC[NH2+]Cc1ccsc1.
What is the InChIKey of 2-hydroxyethyl(thiophen-3-ylmethyl)azanium?
The InChIKey is QAXSMAOCBFMSNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11NOS/c9-3-2-8-5-7-1-4-10-6-7/h1,4,6,8-9H,2-3,5H2/p+1.
What are the key properties of 2-hydroxyethyl(thiophen-3-ylmethyl)azanium?
2-hydroxyethyl(thiophen-3-ylmethyl)azanium has a molecular weight of 158.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 8622985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).