N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide

C10H15N3O3S2 — CID 77041831

IUPACN'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C10H15N3O3S2/c11-10(12-14)8-4-1-2-6-13(8)18(15,16)9-5-3-7-17-9/h3,5,7-8,14H,1-2,4,6H2,(H2,11,12)
InChIKeyRIDSGXSCQYFFSF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.04
Rot. Bonds3

About N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide

N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide (PubChem CID 77041831) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
PubChem CID77041831
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC NameN'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C10H15N3O3S2/c11-10(12-14)8-4-1-2-6-13(8)18(15,16)9-5-3-7-17-9/h3,5,7-8,14H,1-2,4,6H2,(H2,11,12)
InChIKeyRIDSGXSCQYFFSF-UHFFFAOYSA-N
XLogP1.04
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.04
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

(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826353
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16828820

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide (CID 77041831) is N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide is NC(=NO)C1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide?
The InChIKey is RIDSGXSCQYFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c11-10(12-14)8-4-1-2-6-13(8)18(15,16)9-5-3-7-17-9/h3,5,7-8,14H,1-2,4,6H2,(H2,11,12).
What are the key properties of N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide?
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide is sourced from PubChem (CID 77041831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).