(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C15H22FNOS — CID 170942635

IUPAC(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1cc(C2CC2)ccc1F
InChIInChI=1S/C15H22FNOS/c1-10(17-19(18)15(2,3)4)13-9-12(11-5-6-11)7-8-14(13)16/h7-11,17H,5-6H2,1-4H3/t10-,19+/m1/s1
InChIKeyCANRVWFLSSCLSE-DGIBIBHMSA-N
MW283.41 g/mol
LogP3.82
Rot. Bonds4

About (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170942635) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170942635
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1cc(C2CC2)ccc1F
InChIInChI=1S/C15H22FNOS/c1-10(17-19(18)15(2,3)4)13-9-12(11-5-6-11)7-8-14(13)16/h7-11,17H,5-6H2,1-4H3/t10-,19+/m1/s1
InChIKeyCANRVWFLSSCLSE-DGIBIBHMSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(tert-butylsulfinylmethyl)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
CID 134602217
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-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 130273068
(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 169081097
(R)-N-[(1S)-1-(4-bromo-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 90347558
(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
CID 170449741
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
N-[1-[4-(chloromethyl)-2,5-difluorophenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 121432530
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 121362441

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 170942635) is (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@@](=O)C(C)(C)C)c1cc(C2CC2)ccc1F.
What is the InChIKey of (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CANRVWFLSSCLSE-DGIBIBHMSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-10(17-19(18)15(2,3)4)13-9-12(11-5-6-11)7-8-14(13)16/h7-11,17H,5-6H2,1-4H3/t10-,19+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 283.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170942635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).