3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol

C13H13NOS — CID 56650939

IUPAC3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C13H13NOS/c14-11-7-10(11)13-5-4-12(16-13)8-2-1-3-9(15)6-8/h1-6,10-11,15H,7,14H2/t10-,11-/m0/s1
InChIKeyKXDUCUANSPMTGM-QWRGUYRKSA-N
MW231.32 g/mol
LogP2.94
Rot. Bonds2

About 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol

3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol (PubChem CID 56650939) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol
PubChem CID56650939
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C13H13NOS/c14-11-7-10(11)13-5-4-12(16-13)8-2-1-3-9(15)6-8/h1-6,10-11,15H,7,14H2/t10-,11-/m0/s1
InChIKeyKXDUCUANSPMTGM-QWRGUYRKSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol?
The IUPAC name of 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol (CID 56650939) is 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol?
The canonical SMILES for 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol is N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol?
The InChIKey is KXDUCUANSPMTGM-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H13NOS/c14-11-7-10(11)13-5-4-12(16-13)8-2-1-3-9(15)6-8/h1-6,10-11,15H,7,14H2/t10-,11-/m0/s1.
What are the key properties of 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol?
3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol has a molecular weight of 231.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2S)-2-aminocyclopropyl]thiophen-2-yl]phenol is sourced from PubChem (CID 56650939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).