ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate

C15H30N4O5S — CID 113149821

IUPACethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(CCN(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C15H30N4O5S/c1-5-24-15(21)18-8-6-13(7-9-18)16-14(20)12-19(25(4,22)23)11-10-17(2)3/h13H,5-12H2,1-4H3,(H,16,20)
InChIKeyRXIVUVLTHPUJNK-UHFFFAOYSA-N
MW378.50 g/mol
LogP-0.45
Rot. Bonds8

About ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 113149821) has the molecular formula C15H30N4O5S and a molecular weight of 378.50 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate
PubChem CID113149821
Molecular FormulaC15H30N4O5S
Molecular Weight378.50 g/mol
Exact Mass378.19
IUPAC Nameethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(CCN(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C15H30N4O5S/c1-5-24-15(21)18-8-6-13(7-9-18)16-14(20)12-19(25(4,22)23)11-10-17(2)3/h13H,5-12H2,1-4H3,(H,16,20)
InChIKeyRXIVUVLTHPUJNK-UHFFFAOYSA-N
XLogP-0.45
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
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CID 43333243
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ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
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ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
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CID 108942733
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CID 108942361

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate (CID 113149821) is ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN(CCN(C)C)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is RXIVUVLTHPUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O5S/c1-5-24-15(21)18-8-6-13(7-9-18)16-14(20)12-19(25(4,22)23)11-10-17(2)3/h13H,5-12H2,1-4H3,(H,16,20).
What are the key properties of ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 378.50 g/mol, XLogP of -0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113149821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).