(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol

C13H19NOS — CID 78939608

IUPAC(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)C1CCSC1
InChIInChI=1S/C13H19NOS/c1-10(15)12-5-3-4-6-13(12)14(2)11-7-8-16-9-11/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyFQRHGSVETLXIGF-NFJWQWPMSA-N
MW237.37 g/mol
LogP2.68
Rot. Bonds3

About (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol

(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol (PubChem CID 78939608) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
PubChem CID78939608
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)C1CCSC1
InChIInChI=1S/C13H19NOS/c1-10(15)12-5-3-4-6-13(12)14(2)11-7-8-16-9-11/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyFQRHGSVETLXIGF-NFJWQWPMSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol (CID 78939608) is (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol is C[C@@H](O)c1ccccc1N(C)C1CCSC1.
What is the InChIKey of (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol?
The InChIKey is FQRHGSVETLXIGF-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(15)12-5-3-4-6-13(12)14(2)11-7-8-16-9-11/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol?
(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol has a molecular weight of 237.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 78939608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).