N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine

C25H29NS — CID 86174014

IUPACN-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCCCSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NS/c1-4-12-22(13-5-1)14-10-19-26-20-11-21-27-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,25-26H,10-11,14,19-21H2
InChIKeyKSNKGSCEOQUJTQ-UHFFFAOYSA-N
MW375.58 g/mol
LogP6.12
Rot. Bonds11

About N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine

N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine (PubChem CID 86174014) has the molecular formula C25H29NS and a molecular weight of 375.58 g/mol. Its IUPAC name is N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
PubChem CID86174014
Molecular FormulaC25H29NS
Molecular Weight375.58 g/mol
Exact Mass375.20
IUPAC NameN-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCCCSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NS/c1-4-12-22(13-5-1)14-10-19-26-20-11-21-27-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,25-26H,10-11,14,19-21H2
InChIKeyKSNKGSCEOQUJTQ-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.58
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine
CID 86174012
N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
CID 10089066
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
2-(3-phenylpropylamino)ethanol
CID 19012091
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243

Frequently Asked Questions

What is the IUPAC name of N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine (CID 86174014) is N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine is c1ccc(CCCNCCCSC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine?
The InChIKey is KSNKGSCEOQUJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NS/c1-4-12-22(13-5-1)14-10-19-26-20-11-21-27-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,25-26H,10-11,14,19-21H2.
What are the key properties of N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine?
N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine has a molecular weight of 375.58 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 86174014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).