N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine

C15H23NS — CID 114899233

IUPACN-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
SMILESCC(CCSc1ccccc1)CNC1CCC1
InChIInChI=1S/C15H23NS/c1-13(12-16-14-6-5-7-14)10-11-17-15-8-3-2-4-9-15/h2-4,8-9,13-14,16H,5-7,10-12H2,1H3
InChIKeyTWMWJUMYDGTADD-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.95
Rot. Bonds7

About N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine

N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine (PubChem CID 114899233) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
PubChem CID114899233
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
SMILESCC(CCSc1ccccc1)CNC1CCC1
InChIInChI=1S/C15H23NS/c1-13(12-16-14-6-5-7-14)10-11-17-15-8-3-2-4-9-15/h2-4,8-9,13-14,16H,5-7,10-12H2,1H3
InChIKeyTWMWJUMYDGTADD-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine 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

N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
CID 79228974
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
CID 83139827
N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
CID 114899187
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine?
The IUPAC name of N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine (CID 114899233) is N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine.
What is the SMILES notation for N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine?
The canonical SMILES for N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine is CC(CCSc1ccccc1)CNC1CCC1.
What is the InChIKey of N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine?
The InChIKey is TWMWJUMYDGTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-13(12-16-14-6-5-7-14)10-11-17-15-8-3-2-4-9-15/h2-4,8-9,13-14,16H,5-7,10-12H2,1H3.
What are the key properties of N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine?
N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine has a molecular weight of 249.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine is sourced from PubChem (CID 114899233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).