[4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone

C15H15NOS — CID 54318214

IUPAC[4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone
SMILESNCCSc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeySPTANNRISWAYHP-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.97
Rot. Bonds5

About [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone

[4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone (PubChem CID 54318214) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone
PubChem CID54318214
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name[4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone
SMILESNCCSc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeySPTANNRISWAYHP-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
1-(3-{[(2-Aminoethyl)sulfanyl](Diphenyl)methyl}phenyl)ethanone
CID 57326580
1-Phenyl-3-(phenylthio)-2-propen-1-one
CID 870755
Phenacyl phenyl sulfide
CID 85338
Bis(4-acetylphenyl)sulfide
CID 520243
(E)-3-(4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one
CID 5377374
Benzoic acid, thio-, S-2-aminoethyl ester, hydrochloride
CID 28640
3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one
CID 2245367
1-[4-[2-Aminoethylsulfanyl(diphenyl)methyl]phenyl]ethanone
CID 57326676
2-Oxo-1,2-diphenylethyl thiocyanate
CID 296777
Bis(4-methylsulfanylphenyl)methanone
CID 291368
1-Phenyl-2-phenylsulfanylpropan-1-one
CID 3405182

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone (CID 54318214) is [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone is NCCSc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone?
The InChIKey is SPTANNRISWAYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11,16H2.
What are the key properties of [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone?
[4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone has a molecular weight of 257.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethylsulfanyl)phenyl]-phenylmethanone is sourced from PubChem (CID 54318214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).