3-amino-3-thiophen-2-ylpropan-1-ol

C7H11NOS — CID 2766201

IUPAC3-amino-3-thiophen-2-ylpropan-1-ol
SMILESNC(CCO)c1cccs1
InChIInChI=1S/C7H11NOS/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2
InChIKeyOQMOVOFGDQVPQM-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-3-thiophen-2-ylpropan-1-ol

3-amino-3-thiophen-2-ylpropan-1-ol (PubChem CID 2766201) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-amino-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-3-thiophen-2-ylpropan-1-ol
PubChem CID2766201
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-amino-3-thiophen-2-ylpropan-1-ol
SMILESNC(CCO)c1cccs1
InChIInChI=1S/C7H11NOS/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2
InChIKeyOQMOVOFGDQVPQM-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-(thiophen-2-yl)propanoic acid
CID 249306
(S)-3-Amino-3-(thiophen-2-yl)propanoic acid
CID 86716
3-{[1-(5-Methylthiophen-2-yl)ethyl]amino}propan-1-ol
CID 43206579
2-Amino-2-(3-methylthiophen-2-yl)ethan-1-ol hydrochloride
CID 71755403
3-Amino-2,2-dimethyl-3-(thiophen-2-yl)propan-1-ol
CID 119031384
[2-Hydroxy-1-(thiophen-2-YL)ethyl]amine
CID 54000759
3-(Methylamino)-3-(thiophen-2-yl)propan-1-ol
CID 64813022
(s)-N,N-dimethyl-3-hydroxy-(2-thienyl)-1-propanamine
CID 67249713
N,N-dimethyl-3-hydroxy-(2-thienyl)-1-propanamine
CID 67426423
3-Amino-2-methyl-2-(thiophen-2-ylmethyl)propan-1-ol
CID 24265047
2-[1-(Dimethylsulfamoylamino)-3-hydroxypropyl]thiophene
CID 71911287
(2R)-2-amino-2-{5-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-yl}ethanol dihydrochloride salt
CID 117628552

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-3-thiophen-2-ylpropan-1-ol (CID 2766201) is 3-amino-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-3-thiophen-2-ylpropan-1-ol is NC(CCO)c1cccs1.
What is the InChIKey of 3-amino-3-thiophen-2-ylpropan-1-ol?
The InChIKey is OQMOVOFGDQVPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2.
What are the key properties of 3-amino-3-thiophen-2-ylpropan-1-ol?
3-amino-3-thiophen-2-ylpropan-1-ol has a molecular weight of 157.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 2766201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).