3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide

C10H17N3O3S2 — CID 54992517

IUPAC3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C10H17N3O3S2/c1-3-13(7-6-9(11)12-14)18(15,16)10-5-4-8(2)17-10/h4-5,14H,3,6-7H2,1-2H3,(H2,11,12)
InChIKeyNLCYVJXSUPTFHL-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.20
Rot. Bonds6

About 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide

3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide (PubChem CID 54992517) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
PubChem CID54992517
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C10H17N3O3S2/c1-3-13(7-6-9(11)12-14)18(15,16)10-5-4-8(2)17-10/h4-5,14H,3,6-7H2,1-2H3,(H2,11,12)
InChIKeyNLCYVJXSUPTFHL-UHFFFAOYSA-N
XLogP1.20
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.20
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

N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 63397238
N-(2-hydroxyethyl)-5-methyl-N-propylthiophene-2-sulfonamide
CID 61424596
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927493
3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992999
N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 47813179
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76933286
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992468
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992419
3-[(5-bromothiophen-2-yl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 54996481

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide (CID 54992517) is 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The InChIKey is NLCYVJXSUPTFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-3-13(7-6-9(11)12-14)18(15,16)10-5-4-8(2)17-10/h4-5,14H,3,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide?
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide has a molecular weight of 291.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).