(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide

C15H24FNO3S2 — CID 135071275

IUPAC(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@H](N[S@](=O)C(C)(C)C)C(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24FNO3S2/c1-5-9-13(17-21(18)15(2,3)4)14(16)22(19,20)12-10-7-6-8-11-12/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14?,21+/m0/s1
InChIKeyAGXQPYKRIPPKBS-VUTQDTSMSA-N
MW349.49 g/mol
LogP2.98
Rot. Bonds7

About (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135071275) has the molecular formula C15H24FNO3S2 and a molecular weight of 349.49 g/mol. Its IUPAC name is (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135071275
Molecular FormulaC15H24FNO3S2
Molecular Weight349.49 g/mol
Exact Mass349.12
IUPAC Name(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@H](N[S@](=O)C(C)(C)C)C(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24FNO3S2/c1-5-9-13(17-21(18)15(2,3)4)14(16)22(19,20)12-10-7-6-8-11-12/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14?,21+/m0/s1
InChIKeyAGXQPYKRIPPKBS-VUTQDTSMSA-N
XLogP2.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide (CID 135071275) is (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide is CCC[C@H](N[S@](=O)C(C)(C)C)C(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AGXQPYKRIPPKBS-VUTQDTSMSA-N. The full InChI is InChI=1S/C15H24FNO3S2/c1-5-9-13(17-21(18)15(2,3)4)14(16)22(19,20)12-10-7-6-8-11-12/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14?,21+/m0/s1.
What are the key properties of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 349.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoropentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135071275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).