(6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one

C14H16F2N2O4S — CID 146143765

IUPAC(6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one
SMILESC[C@H]1C(=O)NCC2(COC2)N1S(=O)(=O)c1ccccc1C(F)F
InChIInChI=1S/C14H16F2N2O4S/c1-9-13(19)17-6-14(7-22-8-14)18(9)23(20,21)11-5-3-2-4-10(11)12(15)16/h2-5,9,12H,6-8H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyMFDYTZXYMGRMJP-VIFPVBQESA-N
MW346.36 g/mol
LogP0.90
Rot. Bonds3

About (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one

(6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one (PubChem CID 146143765) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name(6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one
PubChem CID146143765
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC Name(6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one
SMILESC[C@H]1C(=O)NCC2(COC2)N1S(=O)(=O)c1ccccc1C(F)F
InChIInChI=1S/C14H16F2N2O4S/c1-9-13(19)17-6-14(7-22-8-14)18(9)23(20,21)11-5-3-2-4-10(11)12(15)16/h2-5,9,12H,6-8H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyMFDYTZXYMGRMJP-VIFPVBQESA-N
XLogP0.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one (CID 146143765) is (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one is C[C@H]1C(=O)NCC2(COC2)N1S(=O)(=O)c1ccccc1C(F)F.
What is the InChIKey of (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is MFDYTZXYMGRMJP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c1-9-13(19)17-6-14(7-22-8-14)18(9)23(20,21)11-5-3-2-4-10(11)12(15)16/h2-5,9,12H,6-8H2,1H3,(H,17,19)/t9-/m0/s1.
What are the key properties of (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?
(6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 346.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-[2-(difluoromethyl)phenyl]sulfonyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 146143765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).