N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide

C14H31N3O2S — CID 114813122

IUPACN-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)(C)NCC1CCCCN1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H31N3O2S/c1-13(2,3)15-11-12-9-7-8-10-17(12)20(18,19)16-14(4,5)6/h12,15-16H,7-11H2,1-6H3
InChIKeyYLIGXYRUHAGBQN-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.86
Rot. Bonds4

About N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide

N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide (PubChem CID 114813122) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
PubChem CID114813122
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)(C)NCC1CCCCN1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H31N3O2S/c1-13(2,3)15-11-12-9-7-8-10-17(12)20(18,19)16-14(4,5)6/h12,15-16H,7-11H2,1-6H3
InChIKeyYLIGXYRUHAGBQN-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 104538446
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-[(1-cyclopentylpiperidin-2-yl)methyl]-2-methylpropan-2-amine
CID 63849757
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
2-methyl-N-[[1-(2-methylbutyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580952
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
N-[[1-(ethoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65366916
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N,N-diethylacetamide
CID 63849748

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide (CID 114813122) is N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide is CC(C)(C)NCC1CCCCN1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is YLIGXYRUHAGBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-13(2,3)15-11-12-9-7-8-10-17(12)20(18,19)16-14(4,5)6/h12,15-16H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide?
N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114813122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).