1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine

C13H22N4O2S — CID 110756624

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-15(2)20(18,19)14-12-4-6-13(7-5-12)17-10-8-16(3)9-11-17/h4-7,14H,8-11H2,1-3H3
InChIKeyMZIQAYHWMFONJS-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.66
Rot. Bonds4

About 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine

1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine (PubChem CID 110756624) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
PubChem CID110756624
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-15(2)20(18,19)14-12-4-6-13(7-5-12)17-10-8-16(3)9-11-17/h4-7,14H,8-11H2,1-3H3
InChIKeyMZIQAYHWMFONJS-UHFFFAOYSA-N
XLogP0.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
2-[4-(dimethylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline
CID 112983357
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine
CID 42432621
1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
CID 42451286
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112981618
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
CID 110666756
1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 113028878
4-(dimethylsulfamoylamino)benzoic acid
CID 653734

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine (CID 110756624) is 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine is CN1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine?
The InChIKey is MZIQAYHWMFONJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-15(2)20(18,19)14-12-4-6-13(7-5-12)17-10-8-16(3)9-11-17/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine?
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine is sourced from PubChem (CID 110756624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).