N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide

C13H25N3O2S — CID 55247689

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C13H25N3O2S/c1-2-8-18-9-5-13(17)15-11-3-6-16(7-4-11)10-12(14)19/h11H,2-10H2,1H3,(H2,14,19)(H,15,17)
InChIKeyQOEGSJPHNOWXKP-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.67
Rot. Bonds8

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide (PubChem CID 55247689) 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]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
PubChem CID55247689
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C13H25N3O2S/c1-2-8-18-9-5-13(17)15-11-3-6-16(7-4-11)10-12(14)19/h11H,2-10H2,1H3,(H2,14,19)(H,15,17)
InChIKeyQOEGSJPHNOWXKP-UHFFFAOYSA-N
XLogP0.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602740
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
CID 62955525
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide
CID 64574012
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylimidazole-4-carboxamide
CID 107972234
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide (CID 55247689) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide is CCCOCCC(=O)NC1CCN(CC(N)=S)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide?
The InChIKey is QOEGSJPHNOWXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-2-8-18-9-5-13(17)15-11-3-6-16(7-4-11)10-12(14)19/h11H,2-10H2,1H3,(H2,14,19)(H,15,17).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide has a molecular weight of 287.43 g/mol, XLogP of 0.67, 8 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]-3-propoxypropanamide is sourced from PubChem (CID 55247689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).