1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine

C12H22N4O2S — CID 91841379

IUPAC1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine
SMILESCc1nccn1CCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O2S/c1-12-13-4-7-15(12)6-3-5-14-8-10-16(11-9-14)19(2,17)18/h4,7H,3,5-6,8-11H2,1-2H3
InChIKeyDWTDAUYMOCXXHH-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.16
Rot. Bonds5

About 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine

1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine (PubChem CID 91841379) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine
PubChem CID91841379
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine
SMILESCc1nccn1CCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O2S/c1-12-13-4-7-15(12)6-3-5-14-8-10-16(11-9-14)19(2,17)18/h4,7H,3,5-6,8-11H2,1-2H3
InChIKeyDWTDAUYMOCXXHH-UHFFFAOYSA-N
XLogP0.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-methylimidazolium methanesulfonate
CID 16211849
1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Ethyl-2,3-dimethylimidazolium triflate
CID 16210995
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
2-Methyl-1-[3-(sulfamoylamino)propyl]imidazole
CID 72713105
1,3-Dimethylimidazolium methanesulfonate
CID 11412872
N-[2-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]ethyl]-N-methylmethanesulfonamide chloride
CID 136100394
1-Butyl-3-ethylimidazolium trifluoromethane sulfonate
CID 87169316
N-[3-(2,3-dimethylimidazol-3-ium-1-yl)propyl]-1,1,1-trifluoro-N-methylmethanesulfonamide chloride
CID 14868946
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 53568829

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine (CID 91841379) is 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine is Cc1nccn1CCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine?
The InChIKey is DWTDAUYMOCXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-12-13-4-7-15(12)6-3-5-14-8-10-16(11-9-14)19(2,17)18/h4,7H,3,5-6,8-11H2,1-2H3.
What are the key properties of 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine?
1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine has a molecular weight of 286.40 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylimidazol-1-yl)propyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 91841379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).