tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate

C16H24ClN3O5S — CID 143568268

IUPACtert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2c(Cl)ccc(N)c2O)CC1
InChIInChI=1S/C16H24ClN3O5S/c1-16(2,3)25-15(22)20-8-6-10(7-9-20)19-26(23,24)14-11(17)4-5-12(18)13(14)21/h4-5,10,19,21H,6-9,18H2,1-3H3
InChIKeyQUYCVTDJSVJNFD-UHFFFAOYSA-N
MW405.90 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 143568268) has the molecular formula C16H24ClN3O5S and a molecular weight of 405.90 g/mol. Its IUPAC name is tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID143568268
Molecular FormulaC16H24ClN3O5S
Molecular Weight405.90 g/mol
Exact Mass405.11
IUPAC Nametert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2c(Cl)ccc(N)c2O)CC1
InChIInChI=1S/C16H24ClN3O5S/c1-16(2,3)25-15(22)20-8-6-10(7-9-20)19-26(23,24)14-11(17)4-5-12(18)13(14)21/h4-5,10,19,21H,6-9,18H2,1-3H3
InChIKeyQUYCVTDJSVJNFD-UHFFFAOYSA-N
XLogP2.31
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 24953157
tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
tert-butyl 3-(3-amino-6-chloro-2-hydroxyphenyl)sulfanylpiperidine-1-carboxylate
CID 143568278
tert-butyl 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]piperidine-1-carboxylate
CID 69491693
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
tert-butyl 4-[[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 168581724
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
CID 130377904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate (CID 143568268) is tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2c(Cl)ccc(N)c2O)CC1.
What is the InChIKey of tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is QUYCVTDJSVJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O5S/c1-16(2,3)25-15(22)20-8-6-10(7-9-20)19-26(23,24)14-11(17)4-5-12(18)13(14)21/h4-5,10,19,21H,6-9,18H2,1-3H3.
What are the key properties of tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 405.90 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 143568268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).