N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide

C10H18N2O6S2 — CID 57303203

IUPACN-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(=O)CC(NS(C)(=O)=O)CC(=O)C1
InChIInChI=1S/C10H18N2O6S2/c1-19(15,16)11-7-3-9(13)5-8(6-10(14)4-7)12-20(2,17)18/h7-8,11-12H,3-6H2,1-2H3
InChIKeyYHNCNZLLARJTBD-UHFFFAOYSA-N
MW326.40 g/mol
LogP-1.47
Rot. Bonds4

About N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide

N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide (PubChem CID 57303203) has the molecular formula C10H18N2O6S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide
PubChem CID57303203
Molecular FormulaC10H18N2O6S2
Molecular Weight326.40 g/mol
Exact Mass326.06
IUPAC NameN-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(=O)CC(NS(C)(=O)=O)CC(=O)C1
InChIInChI=1S/C10H18N2O6S2/c1-19(15,16)11-7-3-9(13)5-8(6-10(14)4-7)12-20(2,17)18/h7-8,11-12H,3-6H2,1-2H3
InChIKeyYHNCNZLLARJTBD-UHFFFAOYSA-N
XLogP-1.47
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptylmethanesulfonamide
CID 3113423
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 70291277
N-(2-oxooxetan-3-yl)methanesulfonamide
CID 78193464
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
N-[4-(chloromethyl)cyclohexyl]methanesulfonamide
CID 126979721
N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide
CID 25023567
N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methanesulfonamide
CID 102110380
N-[(1S,3S)-3-(ethylamino)cyclopentyl]methanesulfonamide
CID 121358992
N-(1-aminopyrrolidin-3-yl)methanesulfonamide
CID 89076726
N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide
CID 121357655
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide?
The IUPAC name of N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide (CID 57303203) is N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide?
The canonical SMILES for N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide is CS(=O)(=O)NC1CC(=O)CC(NS(C)(=O)=O)CC(=O)C1.
What is the InChIKey of N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide?
The InChIKey is YHNCNZLLARJTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S2/c1-19(15,16)11-7-3-9(13)5-8(6-10(14)4-7)12-20(2,17)18/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide?
N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide has a molecular weight of 326.40 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-3,7-dioxocyclooctyl]methanesulfonamide is sourced from PubChem (CID 57303203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).