N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine

C24H27NOS — CID 53324070

IUPACN-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine
SMILESO=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NOS/c26-27(20-19-25-18-10-13-21-11-4-1-5-12-21)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
InChIKeyQCMUGORVKCWDCX-UHFFFAOYSA-N
MW377.55 g/mol
LogP4.75
Rot. Bonds10

About N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine

N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine (PubChem CID 53324070) has the molecular formula C24H27NOS and a molecular weight of 377.55 g/mol. Its IUPAC name is N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine
PubChem CID53324070
Molecular FormulaC24H27NOS
Molecular Weight377.55 g/mol
Exact Mass377.18
IUPAC NameN-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine
SMILESO=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NOS/c26-27(20-19-25-18-10-13-21-11-4-1-5-12-21)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
InChIKeyQCMUGORVKCWDCX-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine (CID 53324070) is N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine is O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine?
The InChIKey is QCMUGORVKCWDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NOS/c26-27(20-19-25-18-10-13-21-11-4-1-5-12-21)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2.
What are the key properties of N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine?
N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine has a molecular weight of 377.55 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydrylsulfinylethyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 53324070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).