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

C18H28N2O4S — CID 24761445

IUPACtert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O4S/c1-18(2,3)24-17(21)19-13-15-9-11-20(12-10-15)25(22,23)14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKeyLFXXXNBILZCMSR-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.75
Rot. Bonds5

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

tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate (PubChem CID 24761445) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate
PubChem CID24761445
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Nametert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O4S/c1-18(2,3)24-17(21)19-13-15-9-11-20(12-10-15)25(22,23)14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKeyLFXXXNBILZCMSR-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(benzylsulfonyl)carbamoyl]piperidine-1-carboxylate
CID 44389190
isopropyl N-{1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}carbamate
CID 3623028
1-(ethylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 3239183
tert-butyl N-[[2-[(E)-2-(octylsulfamoyl)ethenyl]phenyl]methyl]carbamate
CID 60156754
ethyl (E,3S)-3-(tert-butoxycarbonylamino)-4-phenyl-but-1-ene-1-sulfonate
CID 71659091
(E,3S)-3-(tert-butoxycarbonylamino)-4-phenyl-but-1-ene-1-sulfonate; tetrabutylammonium
CID 71659092
tert-butyl N-[1-(chlorosulfonyl)-4-phenylbutan-2-yl]carbamate
CID 87987174
Tert-butyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 2810477
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245166
Ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate
CID 33038124
Ethyl 4-(2-phenylethenesulfonamido)piperidine-1-carboxylate
CID 40029227
tert-butyl N-[(1E,2S)-1-(2-benzyl-1,1-dioxothiazinan-6-ylidene)-3-phenylpropan-2-yl]carbamate
CID 44414359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate (CID 24761445) is tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate?
The InChIKey is LFXXXNBILZCMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-18(2,3)24-17(21)19-13-15-9-11-20(12-10-15)25(22,23)14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate has a molecular weight of 368.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-benzylsulfonylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 24761445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).