5-tritylsulfanylpentan-1-amine

C24H27NS — CID 71533766

IUPAC5-tritylsulfanylpentan-1-amine
SMILESNCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NS/c25-19-11-4-12-20-26-24(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20,25H2
InChIKeyAVRIOGHAMAKIAY-UHFFFAOYSA-N
MW361.55 g/mol
LogP5.84
Rot. Bonds9

About 5-tritylsulfanylpentan-1-amine

5-tritylsulfanylpentan-1-amine (PubChem CID 71533766) has the molecular formula C24H27NS and a molecular weight of 361.55 g/mol. Its IUPAC name is 5-tritylsulfanylpentan-1-amine.

Molecular Properties

Compound Name5-tritylsulfanylpentan-1-amine
PubChem CID71533766
Molecular FormulaC24H27NS
Molecular Weight361.55 g/mol
Exact Mass361.19
IUPAC Name5-tritylsulfanylpentan-1-amine
SMILESNCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NS/c25-19-11-4-12-20-26-24(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20,25H2
InChIKeyAVRIOGHAMAKIAY-UHFFFAOYSA-N
XLogP5.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 55.84
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 5-tritylsulfanylpentan-1-amine?
The IUPAC name of 5-tritylsulfanylpentan-1-amine (CID 71533766) is 5-tritylsulfanylpentan-1-amine.
What is the SMILES notation for 5-tritylsulfanylpentan-1-amine?
The canonical SMILES for 5-tritylsulfanylpentan-1-amine is NCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-tritylsulfanylpentan-1-amine?
The InChIKey is AVRIOGHAMAKIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NS/c25-19-11-4-12-20-26-24(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20,25H2.
What are the key properties of 5-tritylsulfanylpentan-1-amine?
5-tritylsulfanylpentan-1-amine has a molecular weight of 361.55 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tritylsulfanylpentan-1-amine is sourced from PubChem (CID 71533766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).