2-(4-ethylsulfanyl-N-methylanilino)ethanol

C11H17NOS — CID 115216147

IUPAC2-(4-ethylsulfanyl-N-methylanilino)ethanol
SMILESCCSc1ccc(N(C)CCO)cc1
InChIInChI=1S/C11H17NOS/c1-3-14-11-6-4-10(5-7-11)12(2)8-9-13/h4-7,13H,3,8-9H2,1-2H3
InChIKeyJBBKPYPGQZQSKJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-ethylsulfanyl-N-methylanilino)ethanol

2-(4-ethylsulfanyl-N-methylanilino)ethanol (PubChem CID 115216147) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-ethylsulfanyl-N-methylanilino)ethanol.

Molecular Properties

Compound Name2-(4-ethylsulfanyl-N-methylanilino)ethanol
PubChem CID115216147
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(4-ethylsulfanyl-N-methylanilino)ethanol
SMILESCCSc1ccc(N(C)CCO)cc1
InChIInChI=1S/C11H17NOS/c1-3-14-11-6-4-10(5-7-11)12(2)8-9-13/h4-7,13H,3,8-9H2,1-2H3
InChIKeyJBBKPYPGQZQSKJ-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
CID 115258403
4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260655
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199941
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide
CID 110930982
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
2-(4-ethylsulfanyl-N-methylanilino)propanoic acid
CID 117041875
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237955

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanyl-N-methylanilino)ethanol?
The IUPAC name of 2-(4-ethylsulfanyl-N-methylanilino)ethanol (CID 115216147) is 2-(4-ethylsulfanyl-N-methylanilino)ethanol.
What is the SMILES notation for 2-(4-ethylsulfanyl-N-methylanilino)ethanol?
The canonical SMILES for 2-(4-ethylsulfanyl-N-methylanilino)ethanol is CCSc1ccc(N(C)CCO)cc1.
What is the InChIKey of 2-(4-ethylsulfanyl-N-methylanilino)ethanol?
The InChIKey is JBBKPYPGQZQSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-14-11-6-4-10(5-7-11)12(2)8-9-13/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-ethylsulfanyl-N-methylanilino)ethanol?
2-(4-ethylsulfanyl-N-methylanilino)ethanol has a molecular weight of 211.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanyl-N-methylanilino)ethanol is sourced from PubChem (CID 115216147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).