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

C9H19N5O2S — CID 114813386

IUPAC2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C9H19N5O2S/c10-9(11)7-13-3-5-14(6-4-13)17(15,16)12-8-1-2-8/h8,12H,1-7H2,(H3,10,11)
InChIKeyQJQUUUIOJQKRKG-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.46
Rot. Bonds5

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

2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide (PubChem CID 114813386) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide
PubChem CID114813386
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C9H19N5O2S/c10-9(11)7-13-3-5-14(6-4-13)17(15,16)12-8-1-2-8/h8,12H,1-7H2,(H3,10,11)
InChIKeyQJQUUUIOJQKRKG-UHFFFAOYSA-N
XLogP-1.46
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.46
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-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813390
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
CID 114813234
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide
CID 114813369
3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
CID 114533580
4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114803524
2-(4-cyclobutylpiperidin-1-yl)ethanimidamide
CID 164653112
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
2-[4-(4,4,4-trifluorobutylsulfonyl)piperazin-1-yl]ethanimidamide
CID 83058675
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114804010
4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
CID 114803506
2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 130608366
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide (CID 114813386) is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide?
The InChIKey is QJQUUUIOJQKRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c10-9(11)7-13-3-5-14(6-4-13)17(15,16)12-8-1-2-8/h8,12H,1-7H2,(H3,10,11).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide?
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide has a molecular weight of 261.35 g/mol, XLogP of -1.46, 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]ethanimidamide is sourced from PubChem (CID 114813386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).