ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate

C13H25N3O5S — CID 110285441

IUPACethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate
SMILESCCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O5S/c1-3-5-10-22(19,20)14-11-12(17)15-6-8-16(9-7-15)13(18)21-4-2/h14H,3-11H2,1-2H3
InChIKeyGVJZGUISDKEAKL-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.01
Rot. Bonds7

About ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate (PubChem CID 110285441) has the molecular formula C13H25N3O5S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate
PubChem CID110285441
Molecular FormulaC13H25N3O5S
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Nameethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate
SMILESCCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O5S/c1-3-5-10-22(19,20)14-11-12(17)15-6-8-16(9-7-15)13(18)21-4-2/h14H,3-11H2,1-2H3
InChIKeyGVJZGUISDKEAKL-UHFFFAOYSA-N
XLogP0.01
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285439
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112991956
N-[2-(azepan-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995972
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
CID 61459214
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
CID 112994466
ethyl 4-[3-(butylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941411
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
ethyl 4-[3-[butyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113136690
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
N-[[1-(2-bromoacetyl)piperidin-4-yl]methyl]butane-1-sulfonamide
CID 54197067

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate (CID 110285441) is ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate is CCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is GVJZGUISDKEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5S/c1-3-5-10-22(19,20)14-11-12(17)15-6-8-16(9-7-15)13(18)21-4-2/h14H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110285441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).