N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide

C14H19BrFNO2S — CID 167335279

IUPACN-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1CC[C@@H]1Oc1cccc(F)c1Br
InChIInChI=1S/C14H19BrFNO2S/c1-14(2,3)20(18)17-10-7-8-11(10)19-12-6-4-5-9(16)13(12)15/h4-6,10-11,17H,7-8H2,1-3H3/t10-,11+,20?/m1/s1
InChIKeyCKPZWWJUVXDTIA-GFVHNQSTSA-N
MW364.28 g/mol
LogP3.55
Rot. Bonds4

About N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide

N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 167335279) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID167335279
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC NameN-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1CC[C@@H]1Oc1cccc(F)c1Br
InChIInChI=1S/C14H19BrFNO2S/c1-14(2,3)20(18)17-10-7-8-11(10)19-12-6-4-5-9(16)13(12)15/h4-6,10-11,17H,7-8H2,1-3H3/t10-,11+,20?/m1/s1
InChIKeyCKPZWWJUVXDTIA-GFVHNQSTSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(2-bromophenoxy)propyl]methanesulfonamide
CID 97592113
(S)-2-Amino-1-(6-bromo-2,3-difluorophenoxy)propane
CID 17747849
1-(2-Bromo-5-fluorophenoxy)propan-2-amine
CID 22376796
N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)-cyclopentyl]propane-2-sulfonamide
CID 67195179
N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclohexyl]propane-2-sulfonamide
CID 67197079
(2S)-1-(2-bromo-5-fluorophenoxy)propan-2-amine
CID 67753319
1-(6-Bromo-2,3-difluorophenoxy)propan-2-amine
CID 73407272
N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
CID 77238419
N-[2-(4-bromo-3-fluorophenoxy)cyclohexyl]propane-2-sulfonamide
CID 77238726
N-[(1S,2R)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
CID 166147853
N-[(1S,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
CID 166147915
N-[(1R,2R)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
CID 167335234

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide (CID 167335279) is N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1CC[C@@H]1Oc1cccc(F)c1Br.
What is the InChIKey of N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CKPZWWJUVXDTIA-GFVHNQSTSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-14(2,3)20(18)17-10-7-8-11(10)19-12-6-4-5-9(16)13(12)15/h4-6,10-11,17H,7-8H2,1-3H3/t10-,11+,20?/m1/s1.
What are the key properties of N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide?
N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 364.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167335279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).