tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate

C16H24N2O4S — CID 46318295

IUPACtert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)17-13-9-11-18(12-10-13)23(20,21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19)
InChIKeyLVWZSWFLKZDSPJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate (PubChem CID 46318295) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
PubChem CID46318295
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nametert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)17-13-9-11-18(12-10-13)23(20,21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19)
InChIKeyLVWZSWFLKZDSPJ-UHFFFAOYSA-N
XLogP2.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 167214287
tert-butyl N-[1-[4-(methylamino)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 71060136
tert-butyl N-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]carbamate
CID 164556892
tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 45106440
2-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 71060123
tert-butyl N-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbamate
CID 55736897
tert-butyl N-[1-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 170639448
tert-butyl N-[(3S)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 129375288
tert-butyl N-[1-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperidin-4-yl]carbamate
CID 55868607
1-(benzenesulfonyl)-3-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylic acid
CID 166790176
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
1-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylpyrazole-5-carboxylic acid
CID 171794568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate (CID 46318295) is tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate?
The InChIKey is LVWZSWFLKZDSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)17-13-9-11-18(12-10-13)23(20,21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 46318295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).