N-(2-benzhydrylsulfanylethyl)cyclopropanamine

C18H21NS — CID 145453064

IUPACN-(2-benzhydrylsulfanylethyl)cyclopropanamine
SMILESc1ccc(C(SCCNC2CC2)c2ccccc2)cc1
InChIInChI=1S/C18H21NS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-14-13-19-17-11-12-17/h1-10,17-19H,11-14H2
InChIKeyGXHXUZAREAKSCT-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.26
Rot. Bonds7

About N-(2-benzhydrylsulfanylethyl)cyclopropanamine

N-(2-benzhydrylsulfanylethyl)cyclopropanamine (PubChem CID 145453064) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-benzhydrylsulfanylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-benzhydrylsulfanylethyl)cyclopropanamine
PubChem CID145453064
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(2-benzhydrylsulfanylethyl)cyclopropanamine
SMILESc1ccc(C(SCCNC2CC2)c2ccccc2)cc1
InChIInChI=1S/C18H21NS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-14-13-19-17-11-12-17/h1-10,17-19H,11-14H2
InChIKeyGXHXUZAREAKSCT-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.26
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-benzhydrylsulfanylethyl)cyclopropanamine?
The IUPAC name of N-(2-benzhydrylsulfanylethyl)cyclopropanamine (CID 145453064) is N-(2-benzhydrylsulfanylethyl)cyclopropanamine.
What is the SMILES notation for N-(2-benzhydrylsulfanylethyl)cyclopropanamine?
The canonical SMILES for N-(2-benzhydrylsulfanylethyl)cyclopropanamine is c1ccc(C(SCCNC2CC2)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzhydrylsulfanylethyl)cyclopropanamine?
The InChIKey is GXHXUZAREAKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-14-13-19-17-11-12-17/h1-10,17-19H,11-14H2.
What are the key properties of N-(2-benzhydrylsulfanylethyl)cyclopropanamine?
N-(2-benzhydrylsulfanylethyl)cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydrylsulfanylethyl)cyclopropanamine is sourced from PubChem (CID 145453064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).