3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide

C12H18FN3O2S — CID 106061692

IUPAC3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C12H18FN3O2S/c13-11-3-5-12(6-4-11)15-19(17,18)16-7-1-2-10(8-14)9-16/h3-6,10,15H,1-2,7-9,14H2
InChIKeyVLEQDTNSIVICMX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.15
Rot. Bonds4

About 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide (PubChem CID 106061692) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
PubChem CID106061692
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C12H18FN3O2S/c13-11-3-5-12(6-4-11)15-19(17,18)16-7-1-2-10(8-14)9-16/h3-6,10,15H,1-2,7-9,14H2
InChIKeyVLEQDTNSIVICMX-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-chloro-4-fluorophenyl)piperidine-1-sulfonamide
CID 106028995
3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
CID 106002010
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384
3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide
CID 166755951
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
3-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)piperidine-1-sulfonamide
CID 106067174
[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
CID 103504236
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726
3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106021797
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide (CID 106061692) is 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide?
The InChIKey is VLEQDTNSIVICMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c13-11-3-5-12(6-4-11)15-19(17,18)16-7-1-2-10(8-14)9-16/h3-6,10,15H,1-2,7-9,14H2.
What are the key properties of 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106061692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).