(1S)-2-(benzylamino)-1-thiophen-2-ylethanol

C13H15NOS — CID 39334632

IUPAC(1S)-2-(benzylamino)-1-thiophen-2-ylethanol
SMILESO[C@@H](CNCc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NOS/c15-12(13-7-4-8-16-13)10-14-9-11-5-2-1-3-6-11/h1-8,12,14-15H,9-10H2/t12-/m0/s1
InChIKeyNBWPQIFSGTYSCZ-LBPRGKRZSA-N
MW233.34 g/mol
LogP2.57
Rot. Bonds5

About (1S)-2-(benzylamino)-1-thiophen-2-ylethanol

(1S)-2-(benzylamino)-1-thiophen-2-ylethanol (PubChem CID 39334632) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (1S)-2-(benzylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-(benzylamino)-1-thiophen-2-ylethanol
PubChem CID39334632
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(1S)-2-(benzylamino)-1-thiophen-2-ylethanol
SMILESO[C@@H](CNCc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NOS/c15-12(13-7-4-8-16-13)10-14-9-11-5-2-1-3-6-11/h1-8,12,14-15H,9-10H2/t12-/m0/s1
InChIKeyNBWPQIFSGTYSCZ-LBPRGKRZSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(benzylamino)-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-2-(benzylamino)-1-thiophen-2-ylethanol (CID 39334632) is (1S)-2-(benzylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-2-(benzylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-2-(benzylamino)-1-thiophen-2-ylethanol is O[C@@H](CNCc1ccccc1)c1cccs1.
What is the InChIKey of (1S)-2-(benzylamino)-1-thiophen-2-ylethanol?
The InChIKey is NBWPQIFSGTYSCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15NOS/c15-12(13-7-4-8-16-13)10-14-9-11-5-2-1-3-6-11/h1-8,12,14-15H,9-10H2/t12-/m0/s1.
What are the key properties of (1S)-2-(benzylamino)-1-thiophen-2-ylethanol?
(1S)-2-(benzylamino)-1-thiophen-2-ylethanol has a molecular weight of 233.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(benzylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 39334632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).