4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol

C13H15NO2S — CID 113436442

IUPAC4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
SMILESNCC(O)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H15NO2S/c14-7-9(15)8-17-13-6-5-12(16)10-3-1-2-4-11(10)13/h1-6,9,15-16H,7-8,14H2
InChIKeyNGWLFPSNGWKFJJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.96
Rot. Bonds4

About 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol

4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol (PubChem CID 113436442) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
PubChem CID113436442
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
SMILESNCC(O)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H15NO2S/c14-7-9(15)8-17-13-6-5-12(16)10-3-1-2-4-11(10)13/h1-6,9,15-16H,7-8,14H2
InChIKeyNGWLFPSNGWKFJJ-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-butoxy-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 107264134
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
CID 112596094
potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
CID 112596223
4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
CID 112596219
4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
CID 115945221
5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol
CID 23298595
4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
CID 112596009
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol
CID 115945406
4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
CID 112596217

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol?
The IUPAC name of 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol (CID 113436442) is 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol?
The canonical SMILES for 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol is NCC(O)CSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol?
The InChIKey is NGWLFPSNGWKFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c14-7-9(15)8-17-13-6-5-12(16)10-3-1-2-4-11(10)13/h1-6,9,15-16H,7-8,14H2.
What are the key properties of 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol?
4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol has a molecular weight of 249.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol is sourced from PubChem (CID 113436442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).