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

C11H23N5O2S — CID 114813369

IUPAC2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H23N5O2S/c1-2-10(11(12)13)15-5-7-16(8-6-15)19(17,18)14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H3,12,13)
InChIKeyXBDSPIAGEPRKPB-UHFFFAOYSA-N
MW289.41 g/mol
LogP-0.68
Rot. Bonds6

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

2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide (PubChem CID 114813369) has the molecular formula C11H23N5O2S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide
PubChem CID114813369
Molecular FormulaC11H23N5O2S
Molecular Weight289.41 g/mol
Exact Mass289.16
IUPAC Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H23N5O2S/c1-2-10(11(12)13)15-5-7-16(8-6-15)19(17,18)14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H3,12,13)
InChIKeyXBDSPIAGEPRKPB-UHFFFAOYSA-N
XLogP-0.68
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
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-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813386
(2R)-2-pyrrolidin-1-ylbutanimidamide
CID 156896295
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
CID 114813234
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114804010
2-(4-tert-butylpiperidin-1-yl)butanimidamide
CID 62090215
2-piperazin-1-ylbutanimidamide
CID 54261988
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
CID 104958917
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531
2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide
CID 114813384
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658958
2-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]propanimidamide
CID 64989510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide (CID 114813369) is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)C(CC)N1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide?
The InChIKey is XBDSPIAGEPRKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-2-10(11(12)13)15-5-7-16(8-6-15)19(17,18)14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H3,12,13).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide?
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide has a molecular weight of 289.41 g/mol, XLogP of -0.68, 6 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]butanimidamide is sourced from PubChem (CID 114813369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).