N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C12H23N5O3S — CID 106960976

IUPACN-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C12H23N5O3S/c1-4-5-13-10(2)11-14-15-12(20-11)16-6-8-17(9-7-16)21(3,18)19/h10,13H,4-9H2,1-3H3
InChIKeyQISQEXOWIHDTPU-UHFFFAOYSA-N
MW317.42 g/mol
LogP0.21
Rot. Bonds6

About N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 106960976) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID106960976
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC NameN-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C12H23N5O3S/c1-4-5-13-10(2)11-14-15-12(20-11)16-6-8-17(9-7-16)21(3,18)19/h10,13H,4-9H2,1-3H3
InChIKeyQISQEXOWIHDTPU-UHFFFAOYSA-N
XLogP0.21
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-Ethyl-1,3,4-oxadiazol-2-yl)-4-(methylsulfonyl)piperazine
CID 72927859
1-[5-(4-Methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 24255140
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 105565398
N-[1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 105565400
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 105565404
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 105597769
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 105597773
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 105597776
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 105597778
N-[1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 105597783
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 105597785
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 105597788

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 106960976) is N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QISQEXOWIHDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-4-5-13-10(2)11-14-15-12(20-11)16-6-8-17(9-7-16)21(3,18)19/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 317.42 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106960976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).