2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide

C18H24N4O5S — CID 162746102

IUPAC2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CN1CC2(C1)CN(C(=O)CC[C@@H]1COC(=O)N1)C2
InChIInChI=1S/C18H24N4O5S/c19-28(25,26)15-4-2-1-3-13(15)7-21-9-18(10-21)11-22(12-18)16(23)6-5-14-8-27-17(24)20-14/h1-4,14H,5-12H2,(H,20,24)(H2,19,25,26)/t14-/m1/s1
InChIKeyZFZDEIXQWCYZOU-CQSZACIVSA-N
MW408.48 g/mol
LogP-0.13
Rot. Bonds6

About 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide

2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide (PubChem CID 162746102) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide
PubChem CID162746102
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CN1CC2(C1)CN(C(=O)CC[C@@H]1COC(=O)N1)C2
InChIInChI=1S/C18H24N4O5S/c19-28(25,26)15-4-2-1-3-13(15)7-21-9-18(10-21)11-22(12-18)16(23)6-5-14-8-27-17(24)20-14/h1-4,14H,5-12H2,(H,20,24)(H2,19,25,26)/t14-/m1/s1
InChIKeyZFZDEIXQWCYZOU-CQSZACIVSA-N
XLogP-0.13
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide
CID 162745740
(4R)-4-[3-[6-[(4-methylsulfonylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162746090
(4R)-4-[3-oxo-3-[6-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]propyl]-1,3-oxazolidin-2-one
CID 162745930
(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745729
(4R)-4-[3-[3-[4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162745753
4-[3-oxo-3-[3-(6-spiro[3.3]heptan-2-yl-3-pyridinyl)azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745535
(4R)-4-[3-[3-[4-[3-(methylsulfonylmethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162745804
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 170787411
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
CID 68614900
N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 170787302
2-[4-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26004165
(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
CID 15391415

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide (CID 162746102) is 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1CN1CC2(C1)CN(C(=O)CC[C@@H]1COC(=O)N1)C2.
What is the InChIKey of 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide?
The InChIKey is ZFZDEIXQWCYZOU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O5S/c19-28(25,26)15-4-2-1-3-13(15)7-21-9-18(10-21)11-22(12-18)16(23)6-5-14-8-27-17(24)20-14/h1-4,14H,5-12H2,(H,20,24)(H2,19,25,26)/t14-/m1/s1.
What are the key properties of 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide?
2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 162746102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).