[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone

C20H17NOS — CID 150446587

IUPAC[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
SMILESNCc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NOS/c21-14-15-6-10-18(11-7-15)23-19-12-8-17(9-13-19)20(22)16-4-2-1-3-5-16/h1-13H,14,21H2
InChIKeyHMWRXCKCDYXQRP-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.53
Rot. Bonds5

About [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone

[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone (PubChem CID 150446587) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
PubChem CID150446587
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
SMILESNCc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NOS/c21-14-15-6-10-18(11-7-15)23-19-12-8-17(9-13-19)20(22)16-4-2-1-3-5-16/h1-13H,14,21H2
InChIKeyHMWRXCKCDYXQRP-UHFFFAOYSA-N
XLogP4.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 58731884
1-[4-(aminomethyl)phenyl]-2-methyl-3-phenylpropane-1,3-dione
CID 150157788
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
diphenylmethanone
CID 3102
2-[2-[4-(4-benzoylphenyl)sulfanylphenyl]ethoxy]ethyl 2,2-dimethylbutanoate
CID 59476634
[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
CID 169083095
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone?
The IUPAC name of [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone (CID 150446587) is [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone is NCc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone?
The InChIKey is HMWRXCKCDYXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c21-14-15-6-10-18(11-7-15)23-19-12-8-17(9-13-19)20(22)16-4-2-1-3-5-16/h1-13H,14,21H2.
What are the key properties of [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone?
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone has a molecular weight of 319.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 150446587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).