2-amino-1-(3-methylthiophen-2-yl)ethanol

C7H11NOS — CID 16768503

IUPAC2-amino-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(O)CN
InChIInChI=1S/C7H11NOS/c1-5-2-3-10-7(5)6(9)4-8/h2-3,6,9H,4,8H2,1H3
InChIKeyMPRXGIUKEXDKGH-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.05
Rot. Bonds2

About 2-amino-1-(3-methylthiophen-2-yl)ethanol

2-amino-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 16768503) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-amino-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-methylthiophen-2-yl)ethanol
PubChem CID16768503
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-amino-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(O)CN
InChIInChI=1S/C7H11NOS/c1-5-2-3-10-7(5)6(9)4-8/h2-3,6,9H,4,8H2,1H3
InChIKeyMPRXGIUKEXDKGH-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (-)-
CID 10095047
2-Amino-1-(thiophen-2-yl)ethan-1-ol
CID 436152
3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (+)-
CID 10171275
3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol
CID 10214420
alpha-((Methylamino)methyl)-2-thiophenemethanol
CID 22498745
2-Amino-1-(thiophen-3-yl)ethan-1-ol
CID 16768049
1-Amino-2-(thiophen-2-yl)propan-2-ol
CID 24271630
2-(Methylamino)-1-(thiophen-3-yl)ethan-1-ol
CID 62774872
3-Amino-1-(thiophen-2-yl)butan-1-ol
CID 66989084
[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
3-Amino-1-(thiophen-3-yl)propan-1-ol
CID 65185005
(1S,2S)-2-amino-1-[4-[(E)-dodec-1-enyl]thiophen-2-yl]propane-1,3-diol
CID 44461592

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-amino-1-(3-methylthiophen-2-yl)ethanol (CID 16768503) is 2-amino-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(O)CN.
What is the InChIKey of 2-amino-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is MPRXGIUKEXDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-2-3-10-7(5)6(9)4-8/h2-3,6,9H,4,8H2,1H3.
What are the key properties of 2-amino-1-(3-methylthiophen-2-yl)ethanol?
2-amino-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 157.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 16768503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).