1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine

C13H26N4O2S — CID 47305798

IUPAC1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine
SMILESCN(CCC#N)S(=O)(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2S/c1-13(2,3)17-10-6-12(7-11-17)15-20(18,19)16(4)9-5-8-14/h12,15H,5-7,9-11H2,1-4H3
InChIKeyUYCVVHMNZRXZAC-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.93
Rot. Bonds5

About 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine

1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine (PubChem CID 47305798) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine
PubChem CID47305798
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine
SMILESCN(CCC#N)S(=O)(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2S/c1-13(2,3)17-10-6-12(7-11-17)15-20(18,19)16(4)9-5-8-14/h12,15H,5-7,9-11H2,1-4H3
InChIKeyUYCVVHMNZRXZAC-UHFFFAOYSA-N
XLogP0.93
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Diethylsulfamoylamino)-1-propylpiperidine
CID 53529219
Dimethyl[(1-methylpiperidin-4-yl)sulfamoyl]amine
CID 23537508
1-Butyl-4-(dimethylsulfamoylamino)piperidine
CID 58602933
1-Butyl-4-(dimethylsulfamoylamino)piperidine
CID 58602934
4-amino-N-propan-2-ylpiperidine-1-sulfonamide
CID 67404925
1-Propan-2-yl-4-(sulfinatoamino)piperidine
CID 68951153
1-Tert-butyl-4-(sulfamoylamino)piperidine
CID 112686118
4-(Tert-butylamino)piperidine-1-sulfinate
CID 130426474
1-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 155183420
3-(4-Aminopiperidin-1-yl)-3-(cyanomethyl)azetidine-1-sulfonamide
CID 164071807
N-(2-methylpropylsulfamoyl)-1-propan-2-ylpiperidin-4-amine
CID 171400170
1-(2-methylpropyl)-N-(methylsulfamoyl)piperidin-4-amine
CID 174864590

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine?
The IUPAC name of 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine (CID 47305798) is 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine?
The canonical SMILES for 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine is CN(CCC#N)S(=O)(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine?
The InChIKey is UYCVVHMNZRXZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-13(2,3)17-10-6-12(7-11-17)15-20(18,19)16(4)9-5-8-14/h12,15H,5-7,9-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine?
1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine has a molecular weight of 302.44 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidine is sourced from PubChem (CID 47305798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).