2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride

C14H26ClN5O3S — CID 120894939

IUPAC2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCNCC2c2nccn2C)C(C)CO1.Cl
InChIInChI=1S/C14H25N5O3S.ClH/c1-11-10-22-12(2)9-19(11)23(20,21)18-7-4-15-8-13(18)14-16-5-6-17(14)3;/h5-6,11-13,15H,4,7-10H2,1-3H3;1H
InChIKeyOMVNXDUVNSNXRP-UHFFFAOYSA-N
MW379.91 g/mol
LogP0.14
Rot. Bonds3

About 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride

2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride (PubChem CID 120894939) has the molecular formula C14H26ClN5O3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
PubChem CID120894939
Molecular FormulaC14H26ClN5O3S
Molecular Weight379.91 g/mol
Exact Mass379.14
IUPAC Name2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCNCC2c2nccn2C)C(C)CO1.Cl
InChIInChI=1S/C14H25N5O3S.ClH/c1-11-10-22-12(2)9-19(11)23(20,21)18-7-4-15-8-13(18)14-16-5-6-17(14)3;/h5-6,11-13,15H,4,7-10H2,1-3H3;1H
InChIKeyOMVNXDUVNSNXRP-UHFFFAOYSA-N
XLogP0.14
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine
CID 120763667
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
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
CID 120894744
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895215

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
The IUPAC name of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride (CID 120894939) is 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
The canonical SMILES for 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride is CC1CN(S(=O)(=O)N2CCNCC2c2nccn2C)C(C)CO1.Cl.
What is the InChIKey of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
The InChIKey is OMVNXDUVNSNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S.ClH/c1-11-10-22-12(2)9-19(11)23(20,21)18-7-4-15-8-13(18)14-16-5-6-17(14)3;/h5-6,11-13,15H,4,7-10H2,1-3H3;1H.
What are the key properties of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride is sourced from PubChem (CID 120894939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).