tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate

C13H26N2O4S — CID 86775212

IUPACtert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate
SMILESCCS(=O)(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)14-10-12(16)19-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyNDKUZFNQRXBRHA-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.73
Rot. Bonds5

About tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate

tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate (PubChem CID 86775212) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate
PubChem CID86775212
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate
SMILESCCS(=O)(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)14-10-12(16)19-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyNDKUZFNQRXBRHA-UHFFFAOYSA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[(1-fluorosulfonylpiperidin-4-yl)amino]propanoate
CID 166414317
2-(1-Methanesulfonyl-piperidin-4-ylamino)-2-methyl-propionic acid ethyl ester
CID 58297287
Ethyl 2-methyl-2-[methylsulfonyl(piperidin-4-yl)amino]propanoate
CID 117650919
Tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate
CID 170112376
Methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
CID 43628908
Ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
CID 43628909
Tert-butyl 2-[4-(methanesulfonamido)piperidin-1-yl]acetate
CID 47134714
Ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate
CID 54952631
Ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate
CID 54952632
Tert-butyl 2-[(1,1-dioxothian-4-yl)amino]acetate
CID 60824823
Tert-butyl 2-[(1-methanesulfonylpiperidin-4-yl)amino]acetate
CID 60824973
Butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
CID 60824974

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate (CID 86775212) is tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate is CCS(=O)(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate?
The InChIKey is NDKUZFNQRXBRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)14-10-12(16)19-13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate?
tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate has a molecular weight of 306.43 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 86775212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).