3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole

C11H20N4O3S — CID 91946603

IUPAC3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H20N4O3S/c1-9(2)19(16,17)15-6-4-14(5-7-15)8-11-10(3)12-18-13-11/h9H,4-8H2,1-3H3
InChIKeyIJOKPTUSPSLYOK-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.23
Rot. Bonds4

About 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole

3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole (PubChem CID 91946603) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
PubChem CID91946603
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H20N4O3S/c1-9(2)19(16,17)15-6-4-14(5-7-15)8-11-10(3)12-18-13-11/h9H,4-8H2,1-3H3
InChIKeyIJOKPTUSPSLYOK-UHFFFAOYSA-N
XLogP0.23
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275
6-[[4-(1-fluoroethylsulfonyl)piperazin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
CID 158593772
[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 91833350
3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
CID 91946677
2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol
CID 60864573
1-[(3-ethylphenyl)methyl]-4-propan-2-ylsulfonylpiperazine
CID 123477126
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 131915930
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 131923933
3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 16673944
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874237
(3aS,6aS)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133133227

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole (CID 91946603) is 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole is Cc1nonc1CN1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
The InChIKey is IJOKPTUSPSLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(2)19(16,17)15-6-4-14(5-7-15)8-11-10(3)12-18-13-11/h9H,4-8H2,1-3H3.
What are the key properties of 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole has a molecular weight of 288.37 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 91946603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).