(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C12H23FN2O2S — CID 156624884

IUPAC(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1[C@H](F)OCC12CCNCC2
InChIInChI=1S/C12H23FN2O2S/c1-11(2,3)18(16)15-9-10(13)17-8-12(9)4-6-14-7-5-12/h9-10,14-15H,4-8H2,1-3H3/t9-,10-,18-/m1/s1
InChIKeyRNOHGRWJZWWKQA-CLFVBBPSSA-N
MW278.39 g/mol
LogP1.10
Rot. Bonds2

About (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 156624884) has the molecular formula C12H23FN2O2S and a molecular weight of 278.39 g/mol. Its IUPAC name is (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID156624884
Molecular FormulaC12H23FN2O2S
Molecular Weight278.39 g/mol
Exact Mass278.15
IUPAC Name(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1[C@H](F)OCC12CCNCC2
InChIInChI=1S/C12H23FN2O2S/c1-11(2,3)18(16)15-9-10(13)17-8-12(9)4-6-14-7-5-12/h9-10,14-15H,4-8H2,1-3H3/t9-,10-,18-/m1/s1
InChIKeyRNOHGRWJZWWKQA-CLFVBBPSSA-N
XLogP1.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 156624884) is (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1[C@H](F)OCC12CCNCC2.
What is the InChIKey of (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RNOHGRWJZWWKQA-CLFVBBPSSA-N. The full InChI is InChI=1S/C12H23FN2O2S/c1-11(2,3)18(16)15-9-10(13)17-8-12(9)4-6-14-7-5-12/h9-10,14-15H,4-8H2,1-3H3/t9-,10-,18-/m1/s1.
What are the key properties of (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 278.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156624884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).