2-(1-phenylsulfanylpropan-2-ylamino)ethanol

C11H17NOS — CID 22171

IUPAC2-(1-phenylsulfanylpropan-2-ylamino)ethanol
SMILESCC(CSc1ccccc1)NCCO
InChIInChI=1S/C11H17NOS/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyANSUFFQBQSMRFA-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.75
Rot. Bonds6

About 2-(1-phenylsulfanylpropan-2-ylamino)ethanol

2-(1-phenylsulfanylpropan-2-ylamino)ethanol (PubChem CID 22171) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(1-phenylsulfanylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(1-phenylsulfanylpropan-2-ylamino)ethanol
PubChem CID22171
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(1-phenylsulfanylpropan-2-ylamino)ethanol
SMILESCC(CSc1ccccc1)NCCO
InChIInChI=1S/C11H17NOS/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyANSUFFQBQSMRFA-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanylpropan-2-ylamino)ethanol?
The IUPAC name of 2-(1-phenylsulfanylpropan-2-ylamino)ethanol (CID 22171) is 2-(1-phenylsulfanylpropan-2-ylamino)ethanol.
What is the SMILES notation for 2-(1-phenylsulfanylpropan-2-ylamino)ethanol?
The canonical SMILES for 2-(1-phenylsulfanylpropan-2-ylamino)ethanol is CC(CSc1ccccc1)NCCO.
What is the InChIKey of 2-(1-phenylsulfanylpropan-2-ylamino)ethanol?
The InChIKey is ANSUFFQBQSMRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of 2-(1-phenylsulfanylpropan-2-ylamino)ethanol?
2-(1-phenylsulfanylpropan-2-ylamino)ethanol has a molecular weight of 211.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanylpropan-2-ylamino)ethanol is sourced from PubChem (CID 22171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).