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

C11H19N5O3S — CID 106960974

IUPACN-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)N1CCN(c2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C11H19N5O3S/c1-20(17,18)16-6-4-15(5-7-16)11-14-13-10(19-11)8-12-9-2-3-9/h9,12H,2-8H2,1H3
InChIKeyBNAVCEWRCGVKHT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.60
Rot. Bonds5

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

N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 106960974) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID106960974
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)N1CCN(c2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C11H19N5O3S/c1-20(17,18)16-6-4-15(5-7-16)11-14-13-10(19-11)8-12-9-2-3-9/h9,12H,2-8H2,1H3
InChIKeyBNAVCEWRCGVKHT-UHFFFAOYSA-N
XLogP-0.60
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(4-methylsulfonylpiperazin-1-yl)-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

2-(chloromethyl)-5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106957650
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 106967817
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106963915
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967395
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 107460430
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106969451
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965695
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 106959892
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965924
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967827

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 106960974) is N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is CS(=O)(=O)N1CCN(c2nnc(CNC3CC3)o2)CC1.
What is the InChIKey of N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is BNAVCEWRCGVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-20(17,18)16-6-4-15(5-7-16)11-14-13-10(19-11)8-12-9-2-3-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 301.37 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106960974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).