4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol

C10H15NO2S — CID 170958236

IUPAC4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol
SMILESCN(O)CCCSc1ccc(O)cc1
InChIInChI=1S/C10H15NO2S/c1-11(13)7-2-8-14-10-5-3-9(12)4-6-10/h3-6,12-13H,2,7-8H2,1H3
InChIKeyOHBSRZGIUQEWJU-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.20
Rot. Bonds5

About 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol

4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol (PubChem CID 170958236) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol.

Molecular Properties

Compound Name4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol
PubChem CID170958236
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol
SMILESCN(O)CCCSc1ccc(O)cc1
InChIInChI=1S/C10H15NO2S/c1-11(13)7-2-8-14-10-5-3-9(12)4-6-10/h3-6,12-13H,2,7-8H2,1H3
InChIKeyOHBSRZGIUQEWJU-UHFFFAOYSA-N
XLogP2.20
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062
4-(3-ethylsulfanylpropylsulfanyl)phenol
CID 115649843
4-(4-pentylsulfanylphenyl)phenol
CID 70386917
4-(3-methylsulfonylpropylsulfanyl)phenol
CID 63192332
4-(4-propylsulfanylphenyl)phenol
CID 70387608
N-benzhydryl-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233995
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
CID 14794071
N-[(2-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46234490
methyl 6-(4-hydroxyphenyl)sulfanylhexanoate
CID 135365803
6-(4-hydroxyphenyl)sulfanyl-2,2-dimethylhexanenitrile
CID 106713676
4-(3,3-difluorobutylsulfanyl)phenol
CID 84683808
N-[(4-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233830

Frequently Asked Questions

What is the IUPAC name of 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol?
The IUPAC name of 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol (CID 170958236) is 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol.
What is the SMILES notation for 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol?
The canonical SMILES for 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol is CN(O)CCCSc1ccc(O)cc1.
What is the InChIKey of 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol?
The InChIKey is OHBSRZGIUQEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(13)7-2-8-14-10-5-3-9(12)4-6-10/h3-6,12-13H,2,7-8H2,1H3.
What are the key properties of 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol?
4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol has a molecular weight of 213.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol is sourced from PubChem (CID 170958236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).