3-[(S)-amino(thiophen-2-yl)methyl]phenol

C11H11NOS — CID 130870806

IUPAC3-[(S)-amino(thiophen-2-yl)methyl]phenol
SMILESN[C@@H](c1cccc(O)c1)c1cccs1
InChIInChI=1S/C11H11NOS/c12-11(10-5-2-6-14-10)8-3-1-4-9(13)7-8/h1-7,11,13H,12H2/t11-/m0/s1
InChIKeyCFMNHEWAXLMXLQ-NSHDSACASA-N
MW205.28 g/mol
LogP2.50
Rot. Bonds2

About 3-[(S)-amino(thiophen-2-yl)methyl]phenol

3-[(S)-amino(thiophen-2-yl)methyl]phenol (PubChem CID 130870806) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-[(S)-amino(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(S)-amino(thiophen-2-yl)methyl]phenol
PubChem CID130870806
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name3-[(S)-amino(thiophen-2-yl)methyl]phenol
SMILESN[C@@H](c1cccc(O)c1)c1cccs1
InChIInChI=1S/C11H11NOS/c12-11(10-5-2-6-14-10)8-3-1-4-9(13)7-8/h1-7,11,13H,12H2/t11-/m0/s1
InChIKeyCFMNHEWAXLMXLQ-NSHDSACASA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dithiophen-2-ylmethyl)phenol
CID 46201100
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
(3-nitrophenyl)-thiophen-2-ylmethanamine
CID 22215325
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino(thiophen-2-yl)methyl]phenol?
The IUPAC name of 3-[(S)-amino(thiophen-2-yl)methyl]phenol (CID 130870806) is 3-[(S)-amino(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(S)-amino(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 3-[(S)-amino(thiophen-2-yl)methyl]phenol is N[C@@H](c1cccc(O)c1)c1cccs1.
What is the InChIKey of 3-[(S)-amino(thiophen-2-yl)methyl]phenol?
The InChIKey is CFMNHEWAXLMXLQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H11NOS/c12-11(10-5-2-6-14-10)8-3-1-4-9(13)7-8/h1-7,11,13H,12H2/t11-/m0/s1.
What are the key properties of 3-[(S)-amino(thiophen-2-yl)methyl]phenol?
3-[(S)-amino(thiophen-2-yl)methyl]phenol has a molecular weight of 205.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-amino(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 130870806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).