(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide

C16H22FNOS — CID 118935320

IUPAC(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCc2c(F)cc(C3CC3)cc21
InChIInChI=1S/C16H22FNOS/c1-16(2,3)20(19)18-15-7-6-12-13(15)8-11(9-14(12)17)10-4-5-10/h8-10,15,18H,4-7H2,1-3H3/t15-,20-/m1/s1
InChIKeyBMQXDOFMVAQOKY-FOIQADDNSA-N
MW295.42 g/mol
LogP3.74
Rot. Bonds3

About (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 118935320) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID118935320
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCc2c(F)cc(C3CC3)cc21
InChIInChI=1S/C16H22FNOS/c1-16(2,3)20(19)18-15-7-6-12-13(15)8-11(9-14(12)17)10-4-5-10/h8-10,15,18H,4-7H2,1-3H3/t15-,20-/m1/s1
InChIKeyBMQXDOFMVAQOKY-FOIQADDNSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide (CID 118935320) is (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1CCc2c(F)cc(C3CC3)cc21.
What is the InChIKey of (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is BMQXDOFMVAQOKY-FOIQADDNSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-16(2,3)20(19)18-15-7-6-12-13(15)8-11(9-14(12)17)10-4-5-10/h8-10,15,18H,4-7H2,1-3H3/t15-,20-/m1/s1.
What are the key properties of (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 295.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118935320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).