ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate

C12H23N3O5S — CID 51335483

IUPACethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H23N3O5S/c1-2-20-12(16)14-5-3-11(4-6-14)13-21(17,18)15-7-9-19-10-8-15/h11,13H,2-10H2,1H3
InChIKeyIVTHMVYTFPLPEV-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.23
Rot. Bonds4

About ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate

ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate (PubChem CID 51335483) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate
PubChem CID51335483
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Nameethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H23N3O5S/c1-2-20-12(16)14-5-3-11(4-6-14)13-21(17,18)15-7-9-19-10-8-15/h11,13H,2-10H2,1H3
InChIKeyIVTHMVYTFPLPEV-UHFFFAOYSA-N
XLogP-0.23
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 112752969
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate (CID 51335483) is ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is IVTHMVYTFPLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-2-20-12(16)14-5-3-11(4-6-14)13-21(17,18)15-7-9-19-10-8-15/h11,13H,2-10H2,1H3.
What are the key properties of ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate?
ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 321.40 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(morpholin-4-ylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 51335483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).