N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide

C11H19N3O2S — CID 77041398

IUPACN'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)C1CCCS1
InChIInChI=1S/C11H19N3O2S/c12-10(13-16)8-4-1-2-6-14(8)11(15)9-5-3-7-17-9/h8-9,16H,1-7H2,(H2,12,13)
InChIKeySAVWNRGQDQROBP-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.01
Rot. Bonds2

About N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide

N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide (PubChem CID 77041398) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
PubChem CID77041398
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)C1CCCS1
InChIInChI=1S/C11H19N3O2S/c12-10(13-16)8-4-1-2-6-14(8)11(15)9-5-3-7-17-9/h8-9,16H,1-7H2,(H2,12,13)
InChIKeySAVWNRGQDQROBP-UHFFFAOYSA-N
XLogP1.01
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-1-(thiane-2-carbonyl)piperidine-2-carboxylic acid
CID 80594026
(2R)-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594021
1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594408
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595775
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80596527
[2-(bromomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80658961
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
[2-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595569
1-[1-(thiane-2-carbonyl)piperidin-2-yl]propan-2-one
CID 80594435
tert-butyl (2S)-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylate
CID 115535772

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide (CID 77041398) is N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide is NC(=NO)C1CCCCN1C(=O)C1CCCS1.
What is the InChIKey of N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide?
The InChIKey is SAVWNRGQDQROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-10(13-16)8-4-1-2-6-14(8)11(15)9-5-3-7-17-9/h8-9,16H,1-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide has a molecular weight of 257.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77041398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).