N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C13H29N3O2S — CID 103465953

IUPACN-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C13H29N3O2S/c1-5-13(2,3)11-15-19(17,18)16-8-6-12(7-9-16)10-14-4/h12,14-15H,5-11H2,1-4H3
InChIKeyZHYNBKBHKKIIIN-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.19
Rot. Bonds7

About N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 103465953) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID103465953
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C13H29N3O2S/c1-5-13(2,3)11-15-19(17,18)16-8-6-12(7-9-16)10-14-4/h12,14-15H,5-11H2,1-4H3
InChIKeyZHYNBKBHKKIIIN-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106079875
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106106639
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 103465953) is N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CCC(C)(C)CNS(=O)(=O)N1CCC(CNC)CC1.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is ZHYNBKBHKKIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-13(2,3)11-15-19(17,18)16-8-6-12(7-9-16)10-14-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 103465953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).