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

C14H26ClN5O3S — CID 120895077

IUPAC2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H25N5O3S.ClH/c1-14(2)11-18(8-9-22-14)23(20,21)19-7-4-15-10-12(19)13-16-5-6-17(13)3;/h5-6,12,15H,4,7-11H2,1-3H3;1H
InChIKeyANLLQPRWUQYCKC-UHFFFAOYSA-N
MW379.91 g/mol
LogP0.14
Rot. Bonds3

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

2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride (PubChem CID 120895077) has the molecular formula C14H26ClN5O3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
PubChem CID120895077
Molecular FormulaC14H26ClN5O3S
Molecular Weight379.91 g/mol
Exact Mass379.14
IUPAC Name2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H25N5O3S.ClH/c1-14(2)11-18(8-9-22-14)23(20,21)19-7-4-15-10-12(19)13-16-5-6-17(13)3;/h5-6,12,15H,4,7-11H2,1-3H3;1H
InChIKeyANLLQPRWUQYCKC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120894939
4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride
CID 120765230
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
CID 120763328
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-(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-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894839

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
The IUPAC name of 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride (CID 120895077) is 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1S(=O)(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
The InChIKey is ANLLQPRWUQYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S.ClH/c1-14(2)11-18(8-9-22-14)23(20,21)19-7-4-15-10-12(19)13-16-5-6-17(13)3;/h5-6,12,15H,4,7-11H2,1-3H3;1H.
What are the key properties of 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride?
2,2-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 2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride is sourced from PubChem (CID 120895077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).