N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide

C15H19BrFN3OS — CID 146344950

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC1(C#N)CC(NS(=O)C(C)(C)C)(c2ncc(Br)cc2F)C1
InChIInChI=1S/C15H19BrFN3OS/c1-13(2,3)22(21)20-15(7-14(4,8-15)9-18)12-11(17)5-10(16)6-19-12/h5-6,20H,7-8H2,1-4H3
InChIKeyHJJCSKUUWGPDHH-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide

N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 146344950) has the molecular formula C15H19BrFN3OS and a molecular weight of 388.31 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID146344950
Molecular FormulaC15H19BrFN3OS
Molecular Weight388.31 g/mol
Exact Mass387.04
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC1(C#N)CC(NS(=O)C(C)(C)C)(c2ncc(Br)cc2F)C1
InChIInChI=1S/C15H19BrFN3OS/c1-13(2,3)22(21)20-15(7-14(4,8-15)9-18)12-11(17)5-10(16)6-19-12/h5-6,20H,7-8H2,1-4H3
InChIKeyHJJCSKUUWGPDHH-UHFFFAOYSA-N
XLogP3.55
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide
CID 131964205
[3-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-1-methylcyclobutyl] N-tert-butylcarbamate
CID 153314501
tert-butyl N-[3-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-1-methylcyclobutyl]carbamate
CID 153314510
(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 176651060
(R)-N-[(R)-[(1S)-1-(4-bromo-3-fluorophenyl)-2,2-difluorocyclopropyl]-cyanomethyl]-2-methylpropane-2-sulfinamide
CID 176980878
N-[(2R)-2-(5-bromo-2-fluorophenyl)-1-(1-cyanocyclopropyl)sulfonylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 86715945
N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide
CID 91434357
N-[(3R,4S)-7-bromo-4-cyano-3,8-difluoro-2,3-dihydrochromen-4-yl]-2-methylpropane-2-sulfinamide
CID 166499732
2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
CID 134177525
(R)-N-[(4S)-6-bromo-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
CID 166118932
N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]butane-1-sulfinamide
CID 138736769
(R)-N-[(2S)-2-(5-bromo-2-fluorophenyl)-4-(1-cyanocyclobutyl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 161427209

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide (CID 146344950) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide is CC1(C#N)CC(NS(=O)C(C)(C)C)(c2ncc(Br)cc2F)C1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HJJCSKUUWGPDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3OS/c1-13(2,3)22(21)20-15(7-14(4,8-15)9-18)12-11(17)5-10(16)6-19-12/h5-6,20H,7-8H2,1-4H3.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 388.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146344950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).