(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide

C13H20FNOS — CID 99646735

IUPAC(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H20FNOS/c1-5-12(15-17(16)13(2,3)4)10-8-6-7-9-11(10)14/h6-9,12,15H,5H2,1-4H3/t12-,17-/m1/s1
InChIKeySRJHUEXDSGNAHX-SJKOYZFVSA-N
MW257.37 g/mol
LogP3.33
Rot. Bonds4

About (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 99646735) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID99646735
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H20FNOS/c1-5-12(15-17(16)13(2,3)4)10-8-6-7-9-11(10)14/h6-9,12,15H,5H2,1-4H3/t12-,17-/m1/s1
InChIKeySRJHUEXDSGNAHX-SJKOYZFVSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
2-[1-(2-fluorophenyl)propylamino]-2-methylpropanamide
CID 112676964
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 130387150
(R)-N-[(1R)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 130387121
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide (CID 99646735) is (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide is CC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1F.
What is the InChIKey of (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SRJHUEXDSGNAHX-SJKOYZFVSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-5-12(15-17(16)13(2,3)4)10-8-6-7-9-11(10)14/h6-9,12,15H,5H2,1-4H3/t12-,17-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 257.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 99646735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).