4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol

C17H21NOS — CID 3075849

IUPAC4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol
SMILESCC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C
InChIInChI=1S/C17H21NOS/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16/h4-11,13,19H,12H2,1-3H3
InChIKeyXIALVPWRLIIBKE-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds5

About 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol

4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol (PubChem CID 3075849) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol
PubChem CID3075849
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol
SMILESCC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C
InChIInChI=1S/C17H21NOS/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16/h4-11,13,19H,12H2,1-3H3
InChIKeyXIALVPWRLIIBKE-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol?
The IUPAC name of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol (CID 3075849) is 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol is CC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.
What is the InChIKey of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol?
The InChIKey is XIALVPWRLIIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol?
4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol has a molecular weight of 287.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol is sourced from PubChem (CID 3075849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).