N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide

C12H18FN3O2S — CID 102874343

IUPACN-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
SMILESNCCCN(C1CCC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H18FN3O2S/c13-10-7-12(9-15-8-10)19(17,18)16(6-2-5-14)11-3-1-4-11/h7-9,11H,1-6,14H2
InChIKeyPOONOOQKRDIQNF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.11
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide

N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide (PubChem CID 102874343) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
PubChem CID102874343
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
SMILESNCCCN(C1CCC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H18FN3O2S/c13-10-7-12(9-15-8-10)19(17,18)16(6-2-5-14)11-3-1-4-11/h7-9,11H,1-6,14H2
InChIKeyPOONOOQKRDIQNF-UHFFFAOYSA-N
XLogP1.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 79115776
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
CID 62062243
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 78982765
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-(2-aminocyclopentyl)-5-fluoropyridine-3-sulfonamide
CID 63252311
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 62007636

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide (CID 102874343) is N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide is NCCCN(C1CCC1)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
The InChIKey is POONOOQKRDIQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c13-10-7-12(9-15-8-10)19(17,18)16(6-2-5-14)11-3-1-4-11/h7-9,11H,1-6,14H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 102874343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).