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

C14H21NS — CID 79228974

IUPACN-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
SMILESCC(CCSc1ccccc1)CNC1CC1
InChIInChI=1S/C14H21NS/c1-12(11-15-13-7-8-13)9-10-16-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3
InChIKeyZSFJTWBNRGQGBH-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.56
Rot. Bonds7

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

N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine (PubChem CID 79228974) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
PubChem CID79228974
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
SMILESCC(CCSc1ccccc1)CNC1CC1
InChIInChI=1S/C14H21NS/c1-12(11-15-13-7-8-13)9-10-16-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3
InChIKeyZSFJTWBNRGQGBH-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
CID 114899233
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
CID 83139827
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
CID 66364052
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116906127

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine?
The IUPAC name of N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine (CID 79228974) is N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine is CC(CCSc1ccccc1)CNC1CC1.
What is the InChIKey of N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine?
The InChIKey is ZSFJTWBNRGQGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12(11-15-13-7-8-13)9-10-16-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3.
What are the key properties of N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine?
N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine has a molecular weight of 235.40 g/mol, XLogP of 3.56, 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)cyclopropanamine is sourced from PubChem (CID 79228974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).