1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide

C8H14ClNO3S — CID 130961479

IUPAC1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
SMILESO=S(=O)(CCl)NC1CCC2CCC1O2
InChIInChI=1S/C8H14ClNO3S/c9-5-14(11,12)10-7-3-1-6-2-4-8(7)13-6/h6-8,10H,1-5H2
InChIKeyRCHIBNAYSQKOGJ-UHFFFAOYSA-N
MW239.72 g/mol
LogP0.81
Rot. Bonds3

About 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide

1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide (PubChem CID 130961479) has the molecular formula C8H14ClNO3S and a molecular weight of 239.72 g/mol. Its IUPAC name is 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
PubChem CID130961479
Molecular FormulaC8H14ClNO3S
Molecular Weight239.72 g/mol
Exact Mass239.04
IUPAC Name1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
SMILESO=S(=O)(CCl)NC1CCC2CCC1O2
InChIInChI=1S/C8H14ClNO3S/c9-5-14(11,12)10-7-3-1-6-2-4-8(7)13-6/h6-8,10H,1-5H2
InChIKeyRCHIBNAYSQKOGJ-UHFFFAOYSA-N
XLogP0.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(methylsulfonimidoyl)-8-oxabicyclo[3.2.1]octan-2-amine
CID 164648404
N-(7-oxabicyclo[2.2.1]heptan-2-yl)sulfamoyl chloride
CID 114958401
1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
CID 63663964
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
CID 63666165
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
CID 80601899
N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 127002266
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
CID 63665826
1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
CID 80720289
1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea
CID 130961494

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide (CID 130961479) is 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide is O=S(=O)(CCl)NC1CCC2CCC1O2.
What is the InChIKey of 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide?
The InChIKey is RCHIBNAYSQKOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3S/c9-5-14(11,12)10-7-3-1-6-2-4-8(7)13-6/h6-8,10H,1-5H2.
What are the key properties of 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide?
1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide has a molecular weight of 239.72 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide is sourced from PubChem (CID 130961479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).