tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate

C13H26N2O4S — CID 53256443

IUPACtert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
SMILESCCS(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)10-14-12(16)19-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyZMGFDSOOJLOPIN-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate (PubChem CID 53256443) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
PubChem CID53256443
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
SMILESCCS(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)10-14-12(16)19-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyZMGFDSOOJLOPIN-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[1-(4-aminophenyl)sulfonylpiperidin-4-yl]methyl]carbamate
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tert-butyl N-[(1-ethylsulfanylpiperidin-4-yl)methyl]carbamate
CID 130293559
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[[1-[(3-chlorophenyl)methylsulfonyl]piperidin-4-yl]methyl]carbamate
CID 71632534
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 135337056
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate (CID 53256443) is tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate is CCS(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate?
The InChIKey is ZMGFDSOOJLOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)10-14-12(16)19-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate has a molecular weight of 306.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 53256443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).