2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide

C10H17N3O3S2 — CID 76928228

IUPAC2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCCc1ccc(S(=O)(=O)N(C)C(C)C(N)=NO)s1
InChIInChI=1S/C10H17N3O3S2/c1-4-8-5-6-9(17-8)18(15,16)13(3)7(2)10(11)12-14/h5-7,14H,4H2,1-3H3,(H2,11,12)
InChIKeyVAQUCSUROOUPSF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.07
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide

2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 76928228) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID76928228
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCCc1ccc(S(=O)(=O)N(C)C(C)C(N)=NO)s1
InChIInChI=1S/C10H17N3O3S2/c1-4-8-5-6-9(17-8)18(15,16)13(3)7(2)10(11)12-14/h5-7,14H,4H2,1-3H3,(H2,11,12)
InChIKeyVAQUCSUROOUPSF-UHFFFAOYSA-N
XLogP1.07
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (CID 76928228) is 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is CCc1ccc(S(=O)(=O)N(C)C(C)C(N)=NO)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is VAQUCSUROOUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-4-8-5-6-9(17-8)18(15,16)13(3)7(2)10(11)12-14/h5-7,14H,4H2,1-3H3,(H2,11,12).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 291.40 g/mol, XLogP of 1.07, 5 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-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).