2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide

C11H23N5O2S — CID 114813234

IUPAC2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H23N5O2S/c1-11(2,10(12)13)15-5-7-16(8-6-15)19(17,18)14-9-3-4-9/h9,14H,3-8H2,1-2H3,(H3,12,13)
InChIKeyUNQZYNLRHKBWOX-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.68
Rot. Bonds5

About 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide

2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide (PubChem CID 114813234) has the molecular formula C11H23N5O2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
PubChem CID114813234
Molecular FormulaC11H23N5O2S
Molecular Weight289.40 g/mol
Exact Mass289.16
IUPAC Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H23N5O2S/c1-11(2,10(12)13)15-5-7-16(8-6-15)19(17,18)14-9-3-4-9/h9,14H,3-8H2,1-2H3,(H3,12,13)
InChIKeyUNQZYNLRHKBWOX-UHFFFAOYSA-N
XLogP-0.68
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[4-(2,2,2-trifluoroethylsulfamoyl)piperazin-1-yl]propanimidamide
CID 114813236
2-[4-(Diethylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
CID 64406079
2-[4-(Diethylsulfamoyl)piperazin-1-yl]propanimidamide
CID 64406370
2-[4-(Dimethylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
CID 64406706
2-Methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanimidamide
CID 64407126
2-[4-(Dimethylsulfamoyl)piperazin-1-yl]propanimidamide
CID 64407195
2-[4-[Methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]ethanimidamide
CID 64407207
2-[4-[Methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanimidamide
CID 64407810
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 104978465
2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 104978467
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 104978482
N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide
CID 104978485

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide (CID 114813234) is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)(C)N1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide?
The InChIKey is UNQZYNLRHKBWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-11(2,10(12)13)15-5-7-16(8-6-15)19(17,18)14-9-3-4-9/h9,14H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide?
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide has a molecular weight of 289.40 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 114813234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).