1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide

C10H14ClN3O3S2 — CID 77039217

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3O3S2/c11-8-1-2-9(18-8)19(16,17)14-5-3-7(4-6-14)10(12)13-15/h1-2,7,15H,3-6H2,(H2,12,13)
InChIKeyYAIKPPSRHUUBPC-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.55
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide

1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77039217) has the molecular formula C10H14ClN3O3S2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77039217
Molecular FormulaC10H14ClN3O3S2
Molecular Weight323.83 g/mol
Exact Mass323.02
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3O3S2/c11-8-1-2-9(18-8)19(16,17)14-5-3-7(4-6-14)10(12)13-15/h1-2,7,15H,3-6H2,(H2,12,13)
InChIKeyYAIKPPSRHUUBPC-UHFFFAOYSA-N
XLogP1.55
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.55
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

1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
(1-carbamoyl-2-adamantyl) 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 90840785
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038531
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide (CID 77039217) is 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is YAIKPPSRHUUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S2/c11-8-1-2-9(18-8)19(16,17)14-5-3-7(4-6-14)10(12)13-15/h1-2,7,15H,3-6H2,(H2,12,13).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 323.83 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77039217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).