[2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate

C16H30N2O3S — CID 144823885

IUPAC[2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNC1CC(C)(C)N(S)C(C)(C)C1
InChIInChI=1S/C16H30N2O3S/c1-11(2)14(20)21-10-13(19)9-17-12-7-15(3,4)18(22)16(5,6)8-12/h12-13,17,19,22H,1,7-10H2,2-6H3
InChIKeyGEILJFVIYOYLAU-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.92
Rot. Bonds6

About [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate (PubChem CID 144823885) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate
PubChem CID144823885
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name[2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNC1CC(C)(C)N(S)C(C)(C)C1
InChIInChI=1S/C16H30N2O3S/c1-11(2)14(20)21-10-13(19)9-17-12-7-15(3,4)18(22)16(5,6)8-12/h12-13,17,19,22H,1,7-10H2,2-6H3
InChIKeyGEILJFVIYOYLAU-UHFFFAOYSA-N
XLogP1.92
TPSA61.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

CID 140670852
CID 140670852
3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]amino]cyclohexane-1-carboxylic acid
CID 167132107
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
CID 139935856
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
[3-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-ium-2-yl)oxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 122208021
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate (CID 144823885) is [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CNC1CC(C)(C)N(S)C(C)(C)C1.
What is the InChIKey of [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate?
The InChIKey is GEILJFVIYOYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-11(2)14(20)21-10-13(19)9-17-12-7-15(3,4)18(22)16(5,6)8-12/h12-13,17,19,22H,1,7-10H2,2-6H3.
What are the key properties of [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate has a molecular weight of 330.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)amino]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 144823885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).