3-tritylsulfanylpropan-1-amine

C22H23NS — CID 24806228

IUPAC3-tritylsulfanylpropan-1-amine
SMILESNCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2
InChIKeyMTMAYHULNPMPNW-UHFFFAOYSA-N
MW333.50 g/mol
LogP5.06
Rot. Bonds7

About 3-tritylsulfanylpropan-1-amine

3-tritylsulfanylpropan-1-amine (PubChem CID 24806228) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is 3-tritylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-tritylsulfanylpropan-1-amine
PubChem CID24806228
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name3-tritylsulfanylpropan-1-amine
SMILESNCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2
InChIKeyMTMAYHULNPMPNW-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tritylsulfanylpropan-1-amine?
The IUPAC name of 3-tritylsulfanylpropan-1-amine (CID 24806228) is 3-tritylsulfanylpropan-1-amine.
What is the SMILES notation for 3-tritylsulfanylpropan-1-amine?
The canonical SMILES for 3-tritylsulfanylpropan-1-amine is NCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-tritylsulfanylpropan-1-amine?
The InChIKey is MTMAYHULNPMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2.
What are the key properties of 3-tritylsulfanylpropan-1-amine?
3-tritylsulfanylpropan-1-amine has a molecular weight of 333.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritylsulfanylpropan-1-amine is sourced from PubChem (CID 24806228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).