1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one

C13H24N2OS — CID 106427819

IUPAC1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one
SMILESC=CCSCCNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2OS/c1-3-10-17-11-7-14-12(2)13(16)15-8-5-4-6-9-15/h3,12,14H,1,4-11H2,2H3
InChIKeyANSDITOHMGOUFI-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.90
Rot. Bonds7

About 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one

1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one (PubChem CID 106427819) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one
PubChem CID106427819
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one
SMILESC=CCSCCNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2OS/c1-3-10-17-11-7-14-12(2)13(16)15-8-5-4-6-9-15/h3,12,14H,1,4-11H2,2H3
InChIKeyANSDITOHMGOUFI-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
CID 43545989
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114163658

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one (CID 106427819) is 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one is C=CCSCCNC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one?
The InChIKey is ANSDITOHMGOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-10-17-11-7-14-12(2)13(16)15-8-5-4-6-9-15/h3,12,14H,1,4-11H2,2H3.
What are the key properties of 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one?
1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one has a molecular weight of 256.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one is sourced from PubChem (CID 106427819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).