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

C25H41N3O4S — CID 163841745

IUPACtert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(S(=O)(=O)NC3CCCCCCCC3)cc2)CC1
InChIInChI=1S/C25H41N3O4S/c1-25(2,3)32-24(29)26-20-16-18-28(19-17-20)22-12-14-23(15-13-22)33(30,31)27-21-10-8-6-4-5-7-9-11-21/h12-15,20-21,27H,4-11,16-19H2,1-3H3,(H,26,29)
InChIKeyOMPMBWIEDCYUAL-UHFFFAOYSA-N
MW479.69 g/mol
LogP4.96
Rot. Bonds5

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

tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate (PubChem CID 163841745) has the molecular formula C25H41N3O4S and a molecular weight of 479.69 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
PubChem CID163841745
Molecular FormulaC25H41N3O4S
Molecular Weight479.69 g/mol
Exact Mass479.28
IUPAC Nametert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(S(=O)(=O)NC3CCCCCCCC3)cc2)CC1
InChIInChI=1S/C25H41N3O4S/c1-25(2,3)32-24(29)26-20-16-18-28(19-17-20)22-12-14-23(15-13-22)33(30,31)27-21-10-8-6-4-5-7-9-11-21/h12-15,20-21,27H,4-11,16-19H2,1-3H3,(H,26,29)
InChIKeyOMPMBWIEDCYUAL-UHFFFAOYSA-N
XLogP4.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]-N-methylbenzenesulfonamide;tert-butyl N-[(3S)-1-[4-(methylsulfamoyl)phenyl]pyrrolidin-3-yl]carbamate;methane
CID 161250249
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 167214287
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
tert-butyl N-[1-(4-formylphenyl)pyrrolidin-3-yl]carbamate
CID 91755325
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
ethyl 3-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]phenyl]prop-2-enoate
CID 86674531

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate (CID 163841745) is tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccc(S(=O)(=O)NC3CCCCCCCC3)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate?
The InChIKey is OMPMBWIEDCYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4S/c1-25(2,3)32-24(29)26-20-16-18-28(19-17-20)22-12-14-23(15-13-22)33(30,31)27-21-10-8-6-4-5-7-9-11-21/h12-15,20-21,27H,4-11,16-19H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate has a molecular weight of 479.69 g/mol, XLogP of 4.96, 5 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-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 163841745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).