N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C14H24N4O2S — CID 61242979

IUPACN-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESNC(=S)CNC(=O)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N4O2S/c15-12(21)10-16-13(19)14(20)18-8-4-11(5-9-18)17-6-2-1-3-7-17/h11H,1-10H2,(H2,15,21)(H,16,19)
InChIKeyYHFZEMAIJPUNKG-UHFFFAOYSA-N
MW312.44 g/mol
LogP-0.13
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 61242979) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID61242979
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESNC(=S)CNC(=O)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N4O2S/c15-12(21)10-16-13(19)14(20)18-8-4-11(5-9-18)17-6-2-1-3-7-17/h11H,1-10H2,(H2,15,21)(H,16,19)
InChIKeyYHFZEMAIJPUNKG-UHFFFAOYSA-N
XLogP-0.13
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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

N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
N-(2-amino-2-sulfanylideneethyl)-2-(4-methylsulfanylazepan-1-yl)-2-oxoacetamide
CID 114237250
N-(2-amino-2-sulfanylideneethyl)-2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 61407405
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-(2-amino-2-sulfanylideneethyl)-2-oxoacetamide
CID 81116334
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-(3,4-dimethylpiperazin-1-yl)-2-oxoacetamide
CID 55218156
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
CID 96578533
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71196964

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 61242979) is N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is NC(=S)CNC(=O)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is YHFZEMAIJPUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c15-12(21)10-16-13(19)14(20)18-8-4-11(5-9-18)17-6-2-1-3-7-17/h11H,1-10H2,(H2,15,21)(H,16,19).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 312.44 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 61242979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).