4-[(1R)-1-aminopropyl]thiophen-2-ol

C7H11NOS — CID 130970107

IUPAC4-[(1R)-1-aminopropyl]thiophen-2-ol
SMILESCC[C@@H](N)c1csc(O)c1
InChIInChI=1S/C7H11NOS/c1-2-6(8)5-3-7(9)10-4-5/h3-4,6,9H,2,8H2,1H3/t6-/m1/s1
InChIKeyXAKGPCQEPFHDNU-ZCFIWIBFSA-N
MW157.24 g/mol
LogP1.86
Rot. Bonds2

About 4-[(1R)-1-aminopropyl]thiophen-2-ol

4-[(1R)-1-aminopropyl]thiophen-2-ol (PubChem CID 130970107) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]thiophen-2-ol.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]thiophen-2-ol
PubChem CID130970107
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name4-[(1R)-1-aminopropyl]thiophen-2-ol
SMILESCC[C@@H](N)c1csc(O)c1
InChIInChI=1S/C7H11NOS/c1-2-6(8)5-3-7(9)10-4-5/h3-4,6,9H,2,8H2,1H3/t6-/m1/s1
InChIKeyXAKGPCQEPFHDNU-ZCFIWIBFSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
CID 55292824
1-(5-fluorothiophen-3-yl)propan-1-amine
CID 130000553
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
(1R)-1-(5-methoxythiophen-3-yl)propan-1-amine
CID 130642103
4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol
CID 130620035
5-[(1R)-1-aminopropyl]thiophen-3-amine
CID 131030693
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-(1-aminopropyl)-5-fluorophenol
CID 55283681
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]thiophen-2-ol?
The IUPAC name of 4-[(1R)-1-aminopropyl]thiophen-2-ol (CID 130970107) is 4-[(1R)-1-aminopropyl]thiophen-2-ol.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]thiophen-2-ol?
The canonical SMILES for 4-[(1R)-1-aminopropyl]thiophen-2-ol is CC[C@@H](N)c1csc(O)c1.
What is the InChIKey of 4-[(1R)-1-aminopropyl]thiophen-2-ol?
The InChIKey is XAKGPCQEPFHDNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-6(8)5-3-7(9)10-4-5/h3-4,6,9H,2,8H2,1H3/t6-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]thiophen-2-ol?
4-[(1R)-1-aminopropyl]thiophen-2-ol has a molecular weight of 157.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]thiophen-2-ol is sourced from PubChem (CID 130970107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).