2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine

C13H24N4O2S — CID 64979807

IUPAC2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
SMILESCCCn1cc(S(=O)(=O)N2CC(C)NCC2C)nc1C
InChIInChI=1S/C13H24N4O2S/c1-5-6-16-9-13(15-12(16)4)20(18,19)17-8-10(2)14-7-11(17)3/h9-11,14H,5-8H2,1-4H3
InChIKeyZNXZVCLAVLVYOL-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.97
Rot. Bonds4

About 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine

2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine (PubChem CID 64979807) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
PubChem CID64979807
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
SMILESCCCn1cc(S(=O)(=O)N2CC(C)NCC2C)nc1C
InChIInChI=1S/C13H24N4O2S/c1-5-6-16-9-13(15-12(16)4)20(18,19)17-8-10(2)14-7-11(17)3/h9-11,14H,5-8H2,1-4H3
InChIKeyZNXZVCLAVLVYOL-UHFFFAOYSA-N
XLogP0.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 82755485
2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide
CID 63009236
(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923251
(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
CID 104974999
3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one
CID 63601891
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-1-propylimidazole
CID 63400626
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
CID 55030484
3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
CID 114508593
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
CID 63873088
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
CID 62065706
5-[(2R,5S)-2,5-dimethylpiperazin-1-yl]sulfonyl-4-methylisoquinoline
CID 70272422
1-ethylsulfonyl-2,5-dimethylpiperazine
CID 64980469

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine (CID 64979807) is 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine is CCCn1cc(S(=O)(=O)N2CC(C)NCC2C)nc1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is ZNXZVCLAVLVYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-6-16-9-13(15-12(16)4)20(18,19)17-8-10(2)14-7-11(17)3/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine?
2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 300.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 64979807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).