(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide

C6H11NO3S — CID 178194359

IUPAC(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
SMILESNS(=O)(=O)[C@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C6H11NO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+,6+/m1/s1
InChIKeyGJJRBQXKNGFCRJ-SRQIZXRXSA-N
MW177.22 g/mol
LogP-0.41
Rot. Bonds1

About (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide

(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 178194359) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID178194359
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
SMILESNS(=O)(=O)[C@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C6H11NO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+,6+/m1/s1
InChIKeyGJJRBQXKNGFCRJ-SRQIZXRXSA-N
XLogP-0.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 130966059
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
N-(7-oxabicyclo[2.2.1]heptan-2-yl)sulfamoyl chloride
CID 114958401
7-oxabicyclo[2.2.1]heptan-2-ylmethanesulfonic acid
CID 156806173
CID 175781698
CID 175781698
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
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
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68570977
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 165445467
3-(2-methylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylsulfonyl)azetidin-3-ol
CID 154847747

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide (CID 178194359) is (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide is NS(=O)(=O)[C@H]1C[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is GJJRBQXKNGFCRJ-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H11NO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+,6+/m1/s1.
What are the key properties of (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide?
(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 177.22 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 178194359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).