2-(3-aminothiophen-2-yl)propan-2-ol

C7H11NOS — CID 83618292

IUPAC2-(3-aminothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1sccc1N
InChIInChI=1S/C7H11NOS/c1-7(2,9)6-5(8)3-4-10-6/h3-4,9H,8H2,1-2H3
InChIKeyNJSBGSCABRKHHN-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.56
Rot. Bonds1

About 2-(3-aminothiophen-2-yl)propan-2-ol

2-(3-aminothiophen-2-yl)propan-2-ol (PubChem CID 83618292) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3-aminothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-aminothiophen-2-yl)propan-2-ol
PubChem CID83618292
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(3-aminothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1sccc1N
InChIInChI=1S/C7H11NOS/c1-7(2,9)6-5(8)3-4-10-6/h3-4,9H,8H2,1-2H3
InChIKeyNJSBGSCABRKHHN-UHFFFAOYSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(3-aminothiophen-2-yl)propan-2-ol (CID 83618292) is 2-(3-aminothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-aminothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-aminothiophen-2-yl)propan-2-ol is CC(C)(O)c1sccc1N.
What is the InChIKey of 2-(3-aminothiophen-2-yl)propan-2-ol?
The InChIKey is NJSBGSCABRKHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-7(2,9)6-5(8)3-4-10-6/h3-4,9H,8H2,1-2H3.
What are the key properties of 2-(3-aminothiophen-2-yl)propan-2-ol?
2-(3-aminothiophen-2-yl)propan-2-ol has a molecular weight of 157.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 83618292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).