N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide

C15H23F2NOS — CID 130273068

IUPACN-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)c1cc(F)c([C@H](C)NS(=O)C(C)(C)C)cc1F
InChIInChI=1S/C15H23F2NOS/c1-9(2)11-7-14(17)12(8-13(11)16)10(3)18-20(19)15(4,5)6/h7-10,18H,1-6H3/t10-,20?/m0/s1
InChIKeyNQGCZJICEKIUJC-SMNKDYLDSA-N
MW303.42 g/mol
LogP4.20
Rot. Bonds4

About N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 130273068) has the molecular formula C15H23F2NOS and a molecular weight of 303.42 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID130273068
Molecular FormulaC15H23F2NOS
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC NameN-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)c1cc(F)c([C@H](C)NS(=O)C(C)(C)C)cc1F
InChIInChI=1S/C15H23F2NOS/c1-9(2)11-7-14(17)12(8-13(11)16)10(3)18-20(19)15(4,5)6/h7-10,18H,1-6H3/t10-,20?/m0/s1
InChIKeyNQGCZJICEKIUJC-SMNKDYLDSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-[(1S)-1-(4-bromo-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 90347558
N-[1-[4-(chloromethyl)-2,5-difluorophenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 121432530
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 169081085
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
N-[(1S)-1-[2,5-difluoro-4-(4-methylimidazol-1-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 90415655
(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 170942635
N-[(1S)-1-[2-fluoro-4-(1-methylcyclopropyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 89479061
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
N-[(1S)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 170902519

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 130273068) is N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)c1cc(F)c([C@H](C)NS(=O)C(C)(C)C)cc1F.
What is the InChIKey of N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NQGCZJICEKIUJC-SMNKDYLDSA-N. The full InChI is InChI=1S/C15H23F2NOS/c1-9(2)11-7-14(17)12(8-13(11)16)10(3)18-20(19)15(4,5)6/h7-10,18H,1-6H3/t10-,20?/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 303.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130273068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).