3-[2-(ethylamino)ethylsulfanyl]phenol

C10H15NOS — CID 104591079

IUPAC3-[2-(ethylamino)ethylsulfanyl]phenol
SMILESCCNCCSc1cccc(O)c1
InChIInChI=1S/C10H15NOS/c1-2-11-6-7-13-10-5-3-4-9(12)8-10/h3-5,8,11-12H,2,6-7H2,1H3
InChIKeyYCRLQYBCFXNKGN-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.09
Rot. Bonds5

About 3-[2-(ethylamino)ethylsulfanyl]phenol

3-[2-(ethylamino)ethylsulfanyl]phenol (PubChem CID 104591079) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethylsulfanyl]phenol.

Molecular Properties

Compound Name3-[2-(ethylamino)ethylsulfanyl]phenol
PubChem CID104591079
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-[2-(ethylamino)ethylsulfanyl]phenol
SMILESCCNCCSc1cccc(O)c1
InChIInChI=1S/C10H15NOS/c1-2-11-6-7-13-10-5-3-4-9(12)8-10/h3-5,8,11-12H,2,6-7H2,1H3
InChIKeyYCRLQYBCFXNKGN-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(ethylamino)ethylsulfanyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
3-(3-aminobutylsulfanyl)phenol
CID 84667848
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
N-ethyl-3-(3-methoxyphenyl)sulfanylpropan-1-amine
CID 61385948
3-(2-hydroxybutylsulfanyl)phenol
CID 104590052
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
4-[(2-phenylsulfanylethylamino)methyl]benzene-1,3-diol
CID 54880997
N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethylsulfanyl]phenol?
The IUPAC name of 3-[2-(ethylamino)ethylsulfanyl]phenol (CID 104591079) is 3-[2-(ethylamino)ethylsulfanyl]phenol.
What is the SMILES notation for 3-[2-(ethylamino)ethylsulfanyl]phenol?
The canonical SMILES for 3-[2-(ethylamino)ethylsulfanyl]phenol is CCNCCSc1cccc(O)c1.
What is the InChIKey of 3-[2-(ethylamino)ethylsulfanyl]phenol?
The InChIKey is YCRLQYBCFXNKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-11-6-7-13-10-5-3-4-9(12)8-10/h3-5,8,11-12H,2,6-7H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethylsulfanyl]phenol?
3-[2-(ethylamino)ethylsulfanyl]phenol has a molecular weight of 197.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethylsulfanyl]phenol is sourced from PubChem (CID 104591079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).