2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide

C11H19N3O3S2 — CID 76927493

IUPAC2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C11H19N3O3S2/c1-3-7-14(8-10(12)13-15)19(16,17)11-6-5-9(4-2)18-11/h5-6,15H,3-4,7-8H2,1-2H3,(H2,12,13)
InChIKeyXBQKWTLMIDHRDH-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.46
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide

2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide (PubChem CID 76927493) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
PubChem CID76927493
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C11H19N3O3S2/c1-3-7-14(8-10(12)13-15)19(16,17)11-6-5-9(4-2)18-11/h5-6,15H,3-4,7-8H2,1-2H3,(H2,12,13)
InChIKeyXBQKWTLMIDHRDH-UHFFFAOYSA-N
XLogP1.46
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
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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Related Compounds

2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
5-ethyl-N,N-bis(2-methylpropyl)thiophene-2-sulfonamide
CID 60530858
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928228
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide (CID 76927493) is 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)c1ccc(CC)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The InChIKey is XBQKWTLMIDHRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-3-7-14(8-10(12)13-15)19(16,17)11-6-5-9(4-2)18-11/h5-6,15H,3-4,7-8H2,1-2H3,(H2,12,13).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide has a molecular weight of 305.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76927493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).