tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate

C19H34N2O5S — CID 119038140

IUPACtert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1(C)C
InChIInChI=1S/C19H34N2O5S/c1-18(2,3)26-17(23)20-15-10-11-21(13-19(15,4)5)16(22)12-27(24,25)14-8-6-7-9-14/h14-15H,6-13H2,1-5H3,(H,20,23)
InChIKeyFPMXADKRGILGIF-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate

tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate (PubChem CID 119038140) has the molecular formula C19H34N2O5S and a molecular weight of 402.56 g/mol. Its IUPAC name is tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate
PubChem CID119038140
Molecular FormulaC19H34N2O5S
Molecular Weight402.56 g/mol
Exact Mass402.22
IUPAC Nametert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1(C)C
InChIInChI=1S/C19H34N2O5S/c1-18(2,3)26-17(23)20-15-10-11-21(13-19(15,4)5)16(22)12-27(24,25)14-8-6-7-9-14/h14-15H,6-13H2,1-5H3,(H,20,23)
InChIKeyFPMXADKRGILGIF-UHFFFAOYSA-N
XLogP2.50
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate (CID 119038140) is tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1(C)C.
What is the InChIKey of tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The InChIKey is FPMXADKRGILGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5S/c1-18(2,3)26-17(23)20-15-10-11-21(13-19(15,4)5)16(22)12-27(24,25)14-8-6-7-9-14/h14-15H,6-13H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate has a molecular weight of 402.56 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate is sourced from PubChem (CID 119038140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).