N-(1-cyanoethyl)oxane-4-sulfonamide

C8H14N2O3S — CID 62048080

IUPACN-(1-cyanoethyl)oxane-4-sulfonamide
SMILESCC(C#N)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H14N2O3S/c1-7(6-9)10-14(11,12)8-2-4-13-5-3-8/h7-8,10H,2-5H2,1H3
InChIKeyBMHCJUAKWOCHQF-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.00
Rot. Bonds3

About N-(1-cyanoethyl)oxane-4-sulfonamide

N-(1-cyanoethyl)oxane-4-sulfonamide (PubChem CID 62048080) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-cyanoethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)oxane-4-sulfonamide
PubChem CID62048080
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(1-cyanoethyl)oxane-4-sulfonamide
SMILESCC(C#N)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H14N2O3S/c1-7(6-9)10-14(11,12)8-2-4-13-5-3-8/h7-8,10H,2-5H2,1H3
InChIKeyBMHCJUAKWOCHQF-UHFFFAOYSA-N
XLogP-0.00
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)oxane-4-sulfonamide (CID 62048080) is N-(1-cyanoethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)oxane-4-sulfonamide is CC(C#N)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1-cyanoethyl)oxane-4-sulfonamide?
The InChIKey is BMHCJUAKWOCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-7(6-9)10-14(11,12)8-2-4-13-5-3-8/h7-8,10H,2-5H2,1H3.
What are the key properties of N-(1-cyanoethyl)oxane-4-sulfonamide?
N-(1-cyanoethyl)oxane-4-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).