2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide

C10H20F3N3O2S — CID 115522853

IUPAC2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)5-3-6-15-19(17,18)16-7-2-1-4-9(16)8-14/h9,15H,1-8,14H2
InChIKeyDTMYMKIJKJZRBC-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.98
Rot. Bonds6

About 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide (PubChem CID 115522853) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
PubChem CID115522853
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)5-3-6-15-19(17,18)16-7-2-1-4-9(16)8-14/h9,15H,1-8,14H2
InChIKeyDTMYMKIJKJZRBC-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014558
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide
CID 106095206

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide (CID 115522853) is 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
The InChIKey is DTMYMKIJKJZRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)5-3-6-15-19(17,18)16-7-2-1-4-9(16)8-14/h9,15H,1-8,14H2.
What are the key properties of 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115522853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).