tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate

C13H26N2O4S — CID 65142558

IUPACtert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-13(2,3)19-12(16)15-10-6-5-7-11(15)8-9-14-20(4,17)18/h11,14H,5-10H2,1-4H3
InChIKeyBPLSBUDISDWVIX-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate

tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate (PubChem CID 65142558) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
PubChem CID65142558
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-13(2,3)19-12(16)15-10-6-5-7-11(15)8-9-14-20(4,17)18/h11,14H,5-10H2,1-4H3
InChIKeyBPLSBUDISDWVIX-UHFFFAOYSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
tert-butyl 2-[[3-(methanesulfonamido)propylamino]methyl]pyrrolidine-1-carboxylate
CID 106333070
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
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N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
tert-butyl 2-[3-(propan-2-ylamino)propyl]piperidine-1-carboxylate
CID 71633110
tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97173194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate (CID 65142558) is tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCNS(C)(=O)=O.
What is the InChIKey of tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
The InChIKey is BPLSBUDISDWVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-13(2,3)19-12(16)15-10-6-5-7-11(15)8-9-14-20(4,17)18/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 65142558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).