2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone

C14H22N4O3S — CID 110634329

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone
SMILESCNS(=O)(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O3S/c1-15-22(20,21)16-13-5-3-12(4-6-13)14(19)11-18-9-7-17(2)8-10-18/h3-6,15-16H,7-11H2,1-2H3
InChIKeyHEKZFYQOGFRLDY-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.01
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone

2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone (PubChem CID 110634329) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone
PubChem CID110634329
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone
SMILESCNS(=O)(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O3S/c1-15-22(20,21)16-13-5-3-12(4-6-13)14(19)11-18-9-7-17(2)8-10-18/h3-6,15-16H,7-11H2,1-2H3
InChIKeyHEKZFYQOGFRLDY-UHFFFAOYSA-N
XLogP-0.01
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
1-[4-(butylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862133
[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl] trifluoromethanesulfonate
CID 170861800
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
CID 110314916
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 6434531
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
(E)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbut-2-enamide
CID 110312545
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
CID 110634314

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone (CID 110634329) is 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone is CNS(=O)(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone?
The InChIKey is HEKZFYQOGFRLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-15-22(20,21)16-13-5-3-12(4-6-13)14(19)11-18-9-7-17(2)8-10-18/h3-6,15-16H,7-11H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone?
2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone has a molecular weight of 326.42 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone is sourced from PubChem (CID 110634329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).