2-(dibenzylamino)-1-phenylethanethiol

C22H23NS — CID 134972021

IUPAC2-(dibenzylamino)-1-phenylethanethiol
SMILESSC(CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NS/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,24H,16-18H2
InChIKeyOHYSSNGEDKJMRS-UHFFFAOYSA-N
MW333.50 g/mol
LogP5.36
Rot. Bonds7

About 2-(dibenzylamino)-1-phenylethanethiol

2-(dibenzylamino)-1-phenylethanethiol (PubChem CID 134972021) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(dibenzylamino)-1-phenylethanethiol.

Molecular Properties

Compound Name2-(dibenzylamino)-1-phenylethanethiol
PubChem CID134972021
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name2-(dibenzylamino)-1-phenylethanethiol
SMILESSC(CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NS/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,24H,16-18H2
InChIKeyOHYSSNGEDKJMRS-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
CID 92858642
(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
CID 30741988
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
CID 16686302
CID 16686302
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
CID 43532152
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-1-phenylethanethiol?
The IUPAC name of 2-(dibenzylamino)-1-phenylethanethiol (CID 134972021) is 2-(dibenzylamino)-1-phenylethanethiol.
What is the SMILES notation for 2-(dibenzylamino)-1-phenylethanethiol?
The canonical SMILES for 2-(dibenzylamino)-1-phenylethanethiol is SC(CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-1-phenylethanethiol?
The InChIKey is OHYSSNGEDKJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NS/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,24H,16-18H2.
What are the key properties of 2-(dibenzylamino)-1-phenylethanethiol?
2-(dibenzylamino)-1-phenylethanethiol has a molecular weight of 333.50 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-1-phenylethanethiol is sourced from PubChem (CID 134972021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).