1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C11H19ClN4O2S — CID 120895125

IUPAC1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C11H18N4O2S.ClH/c1-14-6-5-13-11(14)10-8-12-4-7-15(10)18(16,17)9-2-3-9;/h5-6,9-10,12H,2-4,7-8H2,1H3;1H
InChIKeyXMMSXGPAYXTOLK-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.28
Rot. Bonds3

About 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120895125) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120895125
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C11H18N4O2S.ClH/c1-14-6-5-13-11(14)10-8-12-4-7-15(10)18(16,17)9-2-3-9;/h5-6,9-10,12H,2-4,7-8H2,1H3;1H
InChIKeyXMMSXGPAYXTOLK-UHFFFAOYSA-N
XLogP0.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
CID 120894744
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120894912
1-[4-(2-methoxyethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894479
2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120895077
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
CID 120894941
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120895125) is 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1S(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is XMMSXGPAYXTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S.ClH/c1-14-6-5-13-11(14)10-8-12-4-7-15(10)18(16,17)9-2-3-9;/h5-6,9-10,12H,2-4,7-8H2,1H3;1H.
What are the key properties of 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120895125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).