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

C14H20BrFN2OS — CID 131964205

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncc(Br)cc2F)CCCC1
InChIInChI=1S/C14H20BrFN2OS/c1-13(2,3)20(19)18-14(6-4-5-7-14)12-11(16)8-10(15)9-17-12/h8-9,18H,4-7H2,1-3H3
InChIKeySQUWBOMJGSUHCX-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.80
Rot. Bonds3

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

N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide (PubChem CID 131964205) has the molecular formula C14H20BrFN2OS and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide
PubChem CID131964205
Molecular FormulaC14H20BrFN2OS
Molecular Weight363.30 g/mol
Exact Mass362.05
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncc(Br)cc2F)CCCC1
InChIInChI=1S/C14H20BrFN2OS/c1-13(2,3)20(19)18-14(6-4-5-7-14)12-11(16)8-10(15)9-17-12/h8-9,18H,4-7H2,1-3H3
InChIKeySQUWBOMJGSUHCX-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 146344950
2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
CID 134177525
(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 176651060
N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 177154659
(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
[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
5-bromo-N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridin-2-amine
CID 114047951
2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide
CID 67958161
N-[3-(4-bromo-2-chlorophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 130407805
N-[1-(5-bromo-2-chloro-3-pyridinyl)ethenyl]-2-methylpropane-2-sulfinamide
CID 91434357

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide (CID 131964205) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ncc(Br)cc2F)CCCC1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SQUWBOMJGSUHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2OS/c1-13(2,3)20(19)18-14(6-4-5-7-14)12-11(16)8-10(15)9-17-12/h8-9,18H,4-7H2,1-3H3.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide has a molecular weight of 363.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 131964205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).