(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide

C7H11NO4S — CID 130625620

IUPAC(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC2(CC2)C(=O)O1
InChIInChI=1S/C7H11NO4S/c8-13(10,11)4-5-3-7(1-2-7)6(9)12-5/h5H,1-4H2,(H2,8,10,11)
InChIKeyVKPMKWOIPCBNFI-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.63
Rot. Bonds2

About (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide

(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide (PubChem CID 130625620) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide.

Molecular Properties

Compound Name(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide
PubChem CID130625620
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC2(CC2)C(=O)O1
InChIInChI=1S/C7H11NO4S/c8-13(10,11)4-5-3-7(1-2-7)6(9)12-5/h5H,1-4H2,(H2,8,10,11)
InChIKeyVKPMKWOIPCBNFI-UHFFFAOYSA-N
XLogP-0.63
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one
CID 98010107
3-(bromomethyl)-2-oxaspiro[4.5]decan-1-one
CID 59051963
3-(2-bromoethyl)-2-oxaspiro[4.5]decan-1-one
CID 142436847
2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid
CID 170414149
(3S)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methylsulfonyl-2-oxa-8-azaspiro[4.5]decan-1-one
CID 153285773
(3R)-3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-8-methylsulfonyl-2-oxa-8-azaspiro[4.5]decan-1-one
CID 153285771
(3R)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-8-methylsulfonyl-2-oxa-8-azaspiro[4.5]decan-1-one
CID 151218095
8-(2,6-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172672023
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methylsulfonyl-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 155346956
(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one
CID 124887860
(3S)-8-methylsulfonyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 134535017
tert-butyl (3S)-3-(hydroxymethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 97312173

Frequently Asked Questions

What is the IUPAC name of (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide?
The IUPAC name of (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide (CID 130625620) is (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide.
What is the SMILES notation for (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide?
The canonical SMILES for (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide is NS(=O)(=O)CC1CC2(CC2)C(=O)O1.
What is the InChIKey of (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide?
The InChIKey is VKPMKWOIPCBNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c8-13(10,11)4-5-3-7(1-2-7)6(9)12-5/h5H,1-4H2,(H2,8,10,11).
What are the key properties of (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide?
(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide has a molecular weight of 205.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonamide is sourced from PubChem (CID 130625620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).