N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

C10H17N3O3S — CID 61407405

IUPACN-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESNC(=S)CNC(=O)C(=O)N1CCCCC1CO
InChIInChI=1S/C10H17N3O3S/c11-8(17)5-12-9(15)10(16)13-4-2-1-3-7(13)6-14/h7,14H,1-6H2,(H2,11,17)(H,12,15)
InChIKeyDTOQCTZUUMRKIN-UHFFFAOYSA-N
MW259.33 g/mol
LogP-1.24
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 61407405) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID61407405
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESNC(=S)CNC(=O)C(=O)N1CCCCC1CO
InChIInChI=1S/C10H17N3O3S/c11-8(17)5-12-9(15)10(16)13-4-2-1-3-7(13)6-14/h7,14H,1-6H2,(H2,11,17)(H,12,15)
InChIKeyDTOQCTZUUMRKIN-UHFFFAOYSA-N
XLogP-1.24
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-amino-2-sulfanylideneethyl)-2-oxoacetamide
CID 65321100
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242979
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-(2-amino-2-sulfanylideneethyl)-2-oxoacetamide
CID 81116334
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634633
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide
CID 61424161
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide
CID 108526472

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (CID 61407405) is N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is NC(=S)CNC(=O)C(=O)N1CCCCC1CO.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is DTOQCTZUUMRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c11-8(17)5-12-9(15)10(16)13-4-2-1-3-7(13)6-14/h7,14H,1-6H2,(H2,11,17)(H,12,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 259.33 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 61407405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).