[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

C17H28N2O6S — CID 55995107

IUPAC[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)N(CC)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H28N2O6S/c1-3-15(20)18-8-5-6-13(10-18)17(22)25-11-16(21)19(4-2)14-7-9-26(23,24)12-14/h13-14H,3-12H2,1-2H3
InChIKeyIYUBOHRXKBOUGU-UHFFFAOYSA-N
MW388.49 g/mol
LogP0.21
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (PubChem CID 55995107) has the molecular formula C17H28N2O6S and a molecular weight of 388.49 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
PubChem CID55995107
Molecular FormulaC17H28N2O6S
Molecular Weight388.49 g/mol
Exact Mass388.17
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)N(CC)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H28N2O6S/c1-3-15(20)18-8-5-6-13(10-18)17(22)25-11-16(21)19(4-2)14-7-9-26(23,24)12-14/h13-14H,3-12H2,1-2H3
InChIKeyIYUBOHRXKBOUGU-UHFFFAOYSA-N
XLogP0.21
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145629
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55936859
[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403806
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 55314742
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 4-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108527015
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 3440800
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 2637634
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013810
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (CID 55995107) is [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OCC(=O)N(CC)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The InChIKey is IYUBOHRXKBOUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6S/c1-3-15(20)18-8-5-6-13(10-18)17(22)25-11-16(21)19(4-2)14-7-9-26(23,24)12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55995107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).