1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide

C11H17N3O3S2 — CID 77036482

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC2C(N)=NO)s1
InChIInChI=1S/C11H17N3O3S2/c1-2-8-5-6-10(18-8)19(16,17)14-7-3-4-9(14)11(12)13-15/h5-6,9,15H,2-4,7H2,1H3,(H2,12,13)
InChIKeyJSYHUHCMIZYKFI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.21
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide

1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 77036482) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID77036482
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC2C(N)=NO)s1
InChIInChI=1S/C11H17N3O3S2/c1-2-8-5-6-10(18-8)19(16,17)14-7-3-4-9(14)11(12)13-15/h5-6,9,15H,2-4,7H2,1H3,(H2,12,13)
InChIKeyJSYHUHCMIZYKFI-UHFFFAOYSA-N
XLogP1.21
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.21
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-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
ethyl 1-(5-ethylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 115282486
1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978334
(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270510

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide (CID 77036482) is 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide is CCc1ccc(S(=O)(=O)N2CCCC2C(N)=NO)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is JSYHUHCMIZYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-2-8-5-6-10(18-8)19(16,17)14-7-3-4-9(14)11(12)13-15/h5-6,9,15H,2-4,7H2,1H3,(H2,12,13).
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 303.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).