5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride

C12H14ClNO2S — CID 171199311

IUPAC5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccsc2)cc1O.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-11-3-2-8(6-10(11)14)12(13)9-4-5-16-7-9;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1
InChIKeyYAKJGZFBPNQUSC-YDALLXLXSA-N
MW271.77 g/mol
LogP2.93
Rot. Bonds3

About 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride

5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride (PubChem CID 171199311) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
PubChem CID171199311
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccsc2)cc1O.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-11-3-2-8(6-10(11)14)12(13)9-4-5-16-7-9;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1
InChIKeyYAKJGZFBPNQUSC-YDALLXLXSA-N
XLogP2.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
[4-[(R)-amino(thiophen-3-yl)methyl]-2-hydroxyphenyl] acetate
CID 171233745
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
CID 171235945
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride (CID 171199311) is 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride is COc1ccc([C@H](N)c2ccsc2)cc1O.Cl.
What is the InChIKey of 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is YAKJGZFBPNQUSC-YDALLXLXSA-N. The full InChI is InChI=1S/C12H13NO2S.ClH/c1-15-11-3-2-8(6-10(11)14)12(13)9-4-5-16-7-9;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride?
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 171199311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).