3-(3-aminobutylsulfanyl)phenol

C10H15NOS — CID 84667848

IUPAC3-(3-aminobutylsulfanyl)phenol
SMILESCC(N)CCSc1cccc(O)c1
InChIInChI=1S/C10H15NOS/c1-8(11)5-6-13-10-4-2-3-9(12)7-10/h2-4,7-8,12H,5-6,11H2,1H3
InChIKeyZVZZWJOBLFHNBQ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.22
Rot. Bonds4

About 3-(3-aminobutylsulfanyl)phenol

3-(3-aminobutylsulfanyl)phenol (PubChem CID 84667848) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(3-aminobutylsulfanyl)phenol.

Molecular Properties

Compound Name3-(3-aminobutylsulfanyl)phenol
PubChem CID84667848
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-(3-aminobutylsulfanyl)phenol
SMILESCC(N)CCSc1cccc(O)c1
InChIInChI=1S/C10H15NOS/c1-8(11)5-6-13-10-4-2-3-9(12)7-10/h2-4,7-8,12H,5-6,11H2,1H3
InChIKeyZVZZWJOBLFHNBQ-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
4-(2-phenylsulfanylethylsulfanyl)butan-2-amine
CID 79222065
3-(2-hydroxybutylsulfanyl)phenol
CID 104590052
4-(3-chloro-4-methoxyphenyl)sulfanylbutan-2-amine
CID 117032711
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64819222
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
5-(3,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615787
3-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171218072

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutylsulfanyl)phenol?
The IUPAC name of 3-(3-aminobutylsulfanyl)phenol (CID 84667848) is 3-(3-aminobutylsulfanyl)phenol.
What is the SMILES notation for 3-(3-aminobutylsulfanyl)phenol?
The canonical SMILES for 3-(3-aminobutylsulfanyl)phenol is CC(N)CCSc1cccc(O)c1.
What is the InChIKey of 3-(3-aminobutylsulfanyl)phenol?
The InChIKey is ZVZZWJOBLFHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(11)5-6-13-10-4-2-3-9(12)7-10/h2-4,7-8,12H,5-6,11H2,1H3.
What are the key properties of 3-(3-aminobutylsulfanyl)phenol?
3-(3-aminobutylsulfanyl)phenol has a molecular weight of 197.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutylsulfanyl)phenol is sourced from PubChem (CID 84667848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).