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

C9H21N5O2S — CID 114813390

IUPAC2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(S(=O)(=O)NCCC)CC1
InChIInChI=1S/C9H21N5O2S/c1-2-3-12-17(15,16)14-6-4-13(5-7-14)8-9(10)11/h12H,2-8H2,1H3,(H3,10,11)
InChIKeyKMAWVJPFRUZIPL-UHFFFAOYSA-N
MW263.37 g/mol
LogP-1.22
Rot. Bonds6

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

2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide (PubChem CID 114813390) has the molecular formula C9H21N5O2S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
PubChem CID114813390
Molecular FormulaC9H21N5O2S
Molecular Weight263.37 g/mol
Exact Mass263.14
IUPAC Name2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(S(=O)(=O)NCCC)CC1
InChIInChI=1S/C9H21N5O2S/c1-2-3-12-17(15,16)14-6-4-13(5-7-14)8-9(10)11/h12H,2-8H2,1H3,(H3,10,11)
InChIKeyKMAWVJPFRUZIPL-UHFFFAOYSA-N
XLogP-1.22
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 5-1.22
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
2-[4-(4,4,4-trifluorobutylsulfonyl)piperazin-1-yl]ethanimidamide
CID 83058675
2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide
CID 114815280
2-[methyl(propylsulfamoyl)amino]ethanimidamide
CID 114813264
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
2-(4-cyclobutylpiperidin-1-yl)ethanimidamide
CID 164653112
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
4-methyl-4-(methylamino)-N-propylpiperidine-1-sulfonamide
CID 114811227
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110611641
4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide
CID 110608688
3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
CID 114812862
3-[(3S,4R)-4-amino-1-[(3-amino-3-iminopropyl)sulfamoyl]pyrrolidin-3-yl]propylboronic acid
CID 164837504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide (CID 114813390) is 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(S(=O)(=O)NCCC)CC1.
What is the InChIKey of 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide?
The InChIKey is KMAWVJPFRUZIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O2S/c1-2-3-12-17(15,16)14-6-4-13(5-7-14)8-9(10)11/h12H,2-8H2,1H3,(H3,10,11).
What are the key properties of 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide?
2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide has a molecular weight of 263.37 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 114813390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).