N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H25N3O2S — CID 112602740

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C13H25N3O2S/c1-13(2,3)18-9-12(17)15-10-4-6-16(7-5-10)8-11(14)19/h10H,4-9H2,1-3H3,(H2,14,19)(H,15,17)
InChIKeyRWZSGGAEPCLSPX-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.67
Rot. Bonds5

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602740) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602740
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C13H25N3O2S/c1-13(2,3)18-9-12(17)15-10-4-6-16(7-5-10)8-11(14)19/h10H,4-9H2,1-3H3,(H2,14,19)(H,15,17)
InChIKeyRWZSGGAEPCLSPX-UHFFFAOYSA-N
XLogP0.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
CID 55247689
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
N-(1,2-dimethylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605581
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
N-(1-ethylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605280
2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114124423
N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 172516053
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(tert-butylamino)acetamide
CID 49487861
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934911

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602740) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NC1CCN(CC(N)=S)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is RWZSGGAEPCLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-13(2,3)18-9-12(17)15-10-4-6-16(7-5-10)8-11(14)19/h10H,4-9H2,1-3H3,(H2,14,19)(H,15,17).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 287.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).