N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide

C12H20FN3O2S — CID 103298483

IUPACN-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
SMILESCC(C)CN(CCCN)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H20FN3O2S/c1-10(2)9-16(8-4-6-14)19(17,18)12-11(13)5-3-7-15-12/h3,5,7,10H,4,6,8-9,14H2,1-2H3
InChIKeyTZYPGHLCDRQASZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds7

About N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide

N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide (PubChem CID 103298483) has the molecular formula C12H20FN3O2S and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
PubChem CID103298483
Molecular FormulaC12H20FN3O2S
Molecular Weight289.38 g/mol
Exact Mass289.13
IUPAC NameN-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
SMILESCC(C)CN(CCCN)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H20FN3O2S/c1-10(2)9-16(8-4-6-14)19(17,18)12-11(13)5-3-7-15-12/h3,5,7,10H,4,6,8-9,14H2,1-2H3
InChIKeyTZYPGHLCDRQASZ-UHFFFAOYSA-N
XLogP1.22
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
CID 107435853
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305073
2-[(3-fluoro-2-pyridinyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 103308750
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-sulfonamide
CID 103300378
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide
CID 103298460
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 103299752

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide (CID 103298483) is N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide is CC(C)CN(CCCN)S(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide?
The InChIKey is TZYPGHLCDRQASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2S/c1-10(2)9-16(8-4-6-14)19(17,18)12-11(13)5-3-7-15-12/h3,5,7,10H,4,6,8-9,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide?
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103298483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).