tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate

C16H24N2O5S — CID 167214287

IUPACtert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H24N2O5S/c1-16(2,3)23-15(20)17-12-8-10-18(11-9-12)24(21,22)14-6-4-13(19)5-7-14/h4-7,12,19H,8-11H2,1-3H3,(H,17,20)
InChIKeyKIBIFQIWMODOAO-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.07
Rot. Bonds3

About tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate

tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate (PubChem CID 167214287) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
PubChem CID167214287
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Nametert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H24N2O5S/c1-16(2,3)23-15(20)17-12-8-10-18(11-9-12)24(21,22)14-6-4-13(19)5-7-14/h4-7,12,19H,8-11H2,1-3H3,(H,17,20)
InChIKeyKIBIFQIWMODOAO-UHFFFAOYSA-N
XLogP2.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
tert-butyl N-[1-[4-(methylamino)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 71060136
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
2-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 71060123
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
tert-butyl N-[1-[3-bromo-4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 177048691
tert-butyl N-[1-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 170639448
tert-butyl N-[[1-(4-aminophenyl)sulfonylpiperidin-4-yl]methyl]carbamate
CID 23553541
tert-butyl N-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbamate
CID 55736897
tert-butyl N-[1-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]piperidin-4-yl]carbamate
CID 150667469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate (CID 167214287) is tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate?
The InChIKey is KIBIFQIWMODOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-16(2,3)23-15(20)17-12-8-10-18(11-9-12)24(21,22)14-6-4-13(19)5-7-14/h4-7,12,19H,8-11H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate has a molecular weight of 356.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 167214287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).