N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide

C9H16N2O3S — CID 62047719

IUPACN-(2-cyanoethyl)-N-methyloxane-4-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-11(6-2-5-10)15(12,13)9-3-7-14-8-4-9/h9H,2-4,6-8H2,1H3
InChIKeyPUYLKYAITSKSNF-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.34
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide

N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide (PubChem CID 62047719) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyloxane-4-sulfonamide
PubChem CID62047719
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(2-cyanoethyl)-N-methyloxane-4-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-11(6-2-5-10)15(12,13)9-3-7-14-8-4-9/h9H,2-4,6-8H2,1H3
InChIKeyPUYLKYAITSKSNF-UHFFFAOYSA-N
XLogP0.34
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yloxane-3-sulfonamide
CID 168137438
N-methyl-N-propan-2-yloxane-4-sulfonamide
CID 168137449
N-methyl-N-(3-pentoxypropyl)propane-2-sulfonamide
CID 170639042
N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
CID 55031206
N-(2-cyanoethyl)-N-ethyloxane-4-sulfonamide
CID 55209945
N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
CID 55211798
N-(2-cyanoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55218598
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 55219622
N-(2-cyanoethyl)-N-ethyl-2-methoxyethanesulfonamide
CID 61609235
1-cyano-N-methyl-N-(oxan-4-yl)methanesulfonamide
CID 61786835
N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide
CID 62048984
N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide
CID 62048985

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide (CID 62047719) is N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide is CN(CCC#N)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide?
The InChIKey is PUYLKYAITSKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-11(6-2-5-10)15(12,13)9-3-7-14-8-4-9/h9H,2-4,6-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide?
N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 62047719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).