N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine

C16H17NS — CID 63805737

IUPACN-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
SMILESc1ccc(Sc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C16H17NS/c1-2-4-15(5-3-1)18-16-10-6-13(7-11-16)12-17-14-8-9-14/h1-7,10-11,14,17H,8-9,12H2
InChIKeyVFZPNXVEQMXLHF-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.09
Rot. Bonds5

About N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine

N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine (PubChem CID 63805737) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
PubChem CID63805737
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC NameN-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
SMILESc1ccc(Sc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C16H17NS/c1-2-4-15(5-3-1)18-16-10-6-13(7-11-16)12-17-14-8-9-14/h1-7,10-11,14,17H,8-9,12H2
InChIKeyVFZPNXVEQMXLHF-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63808521
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806091
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
6-N-benzylspiro[2.5]octane-2,6-diamine
CID 130138432
4-[(cyclohexylamino)methyl]-N-phenylaniline
CID 69114747
N-[(4-cyclohex-2-en-1-ylsulfanylphenyl)methyl]cyclopropanamine
CID 114620848
N-[(4-naphthalen-2-ylphenyl)methyl]cyclopropanamine
CID 63424074

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine (CID 63805737) is N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine is c1ccc(Sc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine?
The InChIKey is VFZPNXVEQMXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-2-4-15(5-3-1)18-16-10-6-13(7-11-16)12-17-14-8-9-14/h1-7,10-11,14,17H,8-9,12H2.
What are the key properties of N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine?
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine has a molecular weight of 255.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63805737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).