tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate

C11H23N3O4S — CID 167049164

IUPACtert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
SMILESCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(N)(=O)=O
InChIInChI=1S/C11H23N3O4S/c1-11(2,3)18-10(15)14-7-5-9(6-8-14)13(4)19(12,16)17/h9H,5-8H2,1-4H3,(H2,12,16,17)
InChIKeyBMAQKJYAPGTEDJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.52
Rot. Bonds2

About tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate (PubChem CID 167049164) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
PubChem CID167049164
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
SMILESCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(N)(=O)=O
InChIInChI=1S/C11H23N3O4S/c1-11(2,3)18-10(15)14-7-5-9(6-8-14)13(4)19(12,16)17/h9H,5-8H2,1-4H3,(H2,12,16,17)
InChIKeyBMAQKJYAPGTEDJ-UHFFFAOYSA-N
XLogP0.52
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163275541
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
tert-butyl 4-[carbamoyl(sulfanyl)amino]piperidine-1-carboxylate
CID 87593874
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate
CID 135161885
tert-butyl 4-[(2,6-dichlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 71647204
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66758447
tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate
CID 171633938
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-[(3-fluoro-4-methylphenyl)sulfonyl-methylamino]piperidine-1-carboxylate
CID 60539981

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate (CID 167049164) is tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate is CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(N)(=O)=O.
What is the InChIKey of tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate?
The InChIKey is BMAQKJYAPGTEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-11(2,3)18-10(15)14-7-5-9(6-8-14)13(4)19(12,16)17/h9H,5-8H2,1-4H3,(H2,12,16,17).
What are the key properties of tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 167049164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).