(S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide

C13H18FNO2S — CID 164875062

IUPAC(S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H]1CCOc2c(F)cccc21
InChIInChI=1S/C13H18FNO2S/c1-13(2,3)18(16)15-11-7-8-17-12-9(11)5-4-6-10(12)14/h4-6,11,15H,7-8H2,1-3H3/t11-,18-/m0/s1
InChIKeyLMOMXQDCEBMGTB-VOJFVSQTSA-N
MW271.36 g/mol
LogP2.70
Rot. Bonds2

About (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 164875062) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID164875062
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name(S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H]1CCOc2c(F)cccc21
InChIInChI=1S/C13H18FNO2S/c1-13(2,3)18(16)15-11-7-8-17-12-9(11)5-4-6-10(12)14/h4-6,11,15H,7-8H2,1-3H3/t11-,18-/m0/s1
InChIKeyLMOMXQDCEBMGTB-VOJFVSQTSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide (CID 164875062) is (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H]1CCOc2c(F)cccc21.
What is the InChIKey of (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is LMOMXQDCEBMGTB-VOJFVSQTSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-13(2,3)18(16)15-11-7-8-17-12-9(11)5-4-6-10(12)14/h4-6,11,15H,7-8H2,1-3H3/t11-,18-/m0/s1.
What are the key properties of (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 271.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164875062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).