tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate

C16H25N3O4S — CID 53256090

IUPACtert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)23-15(20)19-10-8-13(9-11-19)18-24(21,22)14-6-4-12(17)5-7-14/h4-7,13,18H,8-11,17H2,1-3H3
InChIKeyZKDNDLNAFHXFJU-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.95
Rot. Bonds3

About tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 53256090) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID53256090
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nametert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)23-15(20)19-10-8-13(9-11-19)18-24(21,22)14-6-4-12(17)5-7-14/h4-7,13,18H,8-11,17H2,1-3H3
InChIKeyZKDNDLNAFHXFJU-UHFFFAOYSA-N
XLogP1.95
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
tert-butyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 168518895
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
tert-butyl 4-[[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169330330
tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 143568268
tert-butyl (3R)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate
CID 66560214
tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 24953157
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
CID 61125705
tert-butyl 4-[[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 168581724
tert-butyl (3S)-3-[(4-nitrophenyl)sulfonylamino]piperidine-1-carboxylate
CID 124908108

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate (CID 53256090) is tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is ZKDNDLNAFHXFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-16(2,3)23-15(20)19-10-8-13(9-11-19)18-24(21,22)14-6-4-12(17)5-7-14/h4-7,13,18H,8-11,17H2,1-3H3.
What are the key properties of tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 53256090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).