1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide

C15H19FN2OS — CID 166499538

IUPAC1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C[C@@]1(C#N)CCCc2cc(F)ccc21)S(N)=O
InChIInChI=1S/C15H19FN2OS/c1-14(2,20(18)19)9-15(10-17)7-3-4-11-8-12(16)5-6-13(11)15/h5-6,8H,3-4,7,9,18H2,1-2H3/t15-,20?/m1/s1
InChIKeyMGFIPXUPAMHVHQ-IWPPFLRJSA-N
MW294.39 g/mol
LogP2.71
Rot. Bonds3

About 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide

1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 166499538) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID166499538
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C[C@@]1(C#N)CCCc2cc(F)ccc21)S(N)=O
InChIInChI=1S/C15H19FN2OS/c1-14(2,20(18)19)9-15(10-17)7-3-4-11-8-12(16)5-6-13(11)15/h5-6,8H,3-4,7,9,18H2,1-2H3/t15-,20?/m1/s1
InChIKeyMGFIPXUPAMHVHQ-IWPPFLRJSA-N
XLogP2.71
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide (CID 166499538) is 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C[C@@]1(C#N)CCCc2cc(F)ccc21)S(N)=O.
What is the InChIKey of 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is MGFIPXUPAMHVHQ-IWPPFLRJSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-14(2,20(18)19)9-15(10-17)7-3-4-11-8-12(16)5-6-13(11)15/h5-6,8H,3-4,7,9,18H2,1-2H3/t15-,20?/m1/s1.
What are the key properties of 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide?
1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 294.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyano-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166499538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).