2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C10H21N5O3S — CID 104978465

IUPAC2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H21N5O3S/c1-8(10(11)12-16)14-4-6-15(7-5-14)19(17,18)13-9-2-3-9/h8-9,13,16H,2-7H2,1H3,(H2,11,12)
InChIKeyMZTUJJNGLZYLRS-UHFFFAOYSA-N
MW291.38 g/mol
LogP-1.26
Rot. Bonds5

About 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 104978465) has the molecular formula C10H21N5O3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID104978465
Molecular FormulaC10H21N5O3S
Molecular Weight291.38 g/mol
Exact Mass291.14
IUPAC Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H21N5O3S/c1-8(10(11)12-16)14-4-6-15(7-5-14)19(17,18)13-9-2-3-9/h8-9,13,16H,2-7H2,1H3,(H2,11,12)
InChIKeyMZTUJJNGLZYLRS-UHFFFAOYSA-N
XLogP-1.26
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 104978465) is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is MZTUJJNGLZYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O3S/c1-8(10(11)12-16)14-4-6-15(7-5-14)19(17,18)13-9-2-3-9/h8-9,13,16H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 291.38 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).