2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol

C11H10ClNOS — CID 171204756

IUPAC2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
SMILESN[C@H](c1ccsc1)c1cccc(Cl)c1O
InChIInChI=1S/C11H10ClNOS/c12-9-3-1-2-8(11(9)14)10(13)7-4-5-15-6-7/h1-6,10,14H,13H2/t10-/m1/s1
InChIKeyCIUAAMSOFPFGHZ-SNVBAGLBSA-N
MW239.73 g/mol
LogP3.16
Rot. Bonds2

About 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol

2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol (PubChem CID 171204756) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol.

Molecular Properties

Compound Name2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
PubChem CID171204756
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
SMILESN[C@H](c1ccsc1)c1cccc(Cl)c1O
InChIInChI=1S/C11H10ClNOS/c12-9-3-1-2-8(11(9)14)10(13)7-4-5-15-6-7/h1-6,10,14H,13H2/t10-/m1/s1
InChIKeyCIUAAMSOFPFGHZ-SNVBAGLBSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217231
2-[(S)-amino(thiophen-3-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216035
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
2-[(S)-amino(thiophen-3-yl)methyl]-4-chloro-6-methylphenol;hydrochloride
CID 171215002
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol?
The IUPAC name of 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol (CID 171204756) is 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol.
What is the SMILES notation for 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol?
The canonical SMILES for 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol is N[C@H](c1ccsc1)c1cccc(Cl)c1O.
What is the InChIKey of 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol?
The InChIKey is CIUAAMSOFPFGHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-9-3-1-2-8(11(9)14)10(13)7-4-5-15-6-7/h1-6,10,14H,13H2/t10-/m1/s1.
What are the key properties of 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol?
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol has a molecular weight of 239.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol is sourced from PubChem (CID 171204756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).