N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C13H15N3OS — CID 79206209

IUPACN-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc(SCc2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C13H15N3OS/c1-2-4-11(5-3-1)18-9-13-16-15-12(17-13)8-14-10-6-7-10/h1-5,10,14H,6-9H2
InChIKeyGGIFXLCUOMFKBX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.61
Rot. Bonds6

About N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 79206209) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID79206209
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc(SCc2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C13H15N3OS/c1-2-4-11(5-3-1)18-9-13-16-15-12(17-13)8-14-10-6-7-10/h1-5,10,14H,6-9H2
InChIKeyGGIFXLCUOMFKBX-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine 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

[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 79205634
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137769
N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137227
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106960357
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
4-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 79217137
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967827
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 102673114
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139251

Frequently Asked Questions

What is the IUPAC name of N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 79206209) is N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is c1ccc(SCc2nnc(CNC3CC3)o2)cc1.
What is the InChIKey of N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is GGIFXLCUOMFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-4-11(5-3-1)18-9-13-16-15-12(17-13)8-14-10-6-7-10/h1-5,10,14H,6-9H2.
What are the key properties of N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 261.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79206209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).