2-amino-1-thiophen-3-ylethanol

C6H9NOS — CID 16768049

IUPAC2-amino-1-thiophen-3-ylethanol
SMILESNCC(O)c1ccsc1
InChIInChI=1S/C6H9NOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6,8H,3,7H2
InChIKeyRKUNYEOWLVWVAX-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.74
Rot. Bonds2

About 2-amino-1-thiophen-3-ylethanol

2-amino-1-thiophen-3-ylethanol (PubChem CID 16768049) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-amino-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-amino-1-thiophen-3-ylethanol
PubChem CID16768049
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2-amino-1-thiophen-3-ylethanol
SMILESNCC(O)c1ccsc1
InChIInChI=1S/C6H9NOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6,8H,3,7H2
InChIKeyRKUNYEOWLVWVAX-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(thiophen-2-yl)ethan-1-ol
CID 436152
3-Thiophenemethanol, alpha-(1-(isopropylamino)ethyl)-, hydrochloride
CID 208082
3-Thiophenemethanol, alpha-(1-(isobutylamino)ethyl)-, hydrochloride
CID 208101
3-Thiophenemethanol, alpha-(1-(sec-butylamino)ethyl)-, hydrochloride
CID 208103
2-(Methylamino)-1-(thiophen-3-yl)ethan-1-ol
CID 62774872
1-(Thiophen-3-yl)prop-2-en-1-ol
CID 19780492
(1R)-1-thiophen-3-ylprop-2-en-1-ol
CID 124509514
3-Amino-1-(thiophen-3-yl)propan-1-ol
CID 65185005
(1S)-1-thiophen-3-ylprop-2-en-1-ol
CID 11977277
(1S)-2-nitro-1-thiophen-3-ylethanol
CID 101863188
2-(Propan-2-ylamino)-1-thiophen-3-ylpropan-1-ol
CID 208083
2-(2-Methylpropylamino)-1-thiophen-3-ylpropan-1-ol
CID 208102

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-thiophen-3-ylethanol?
The IUPAC name of 2-amino-1-thiophen-3-ylethanol (CID 16768049) is 2-amino-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-amino-1-thiophen-3-ylethanol?
The canonical SMILES for 2-amino-1-thiophen-3-ylethanol is NCC(O)c1ccsc1.
What is the InChIKey of 2-amino-1-thiophen-3-ylethanol?
The InChIKey is RKUNYEOWLVWVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6,8H,3,7H2.
What are the key properties of 2-amino-1-thiophen-3-ylethanol?
2-amino-1-thiophen-3-ylethanol has a molecular weight of 143.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thiophen-3-ylethanol is sourced from PubChem (CID 16768049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).