N-(1-cyanobutan-2-yl)oxane-4-sulfonamide

C10H18N2O3S — CID 62647074

IUPACN-(1-cyanobutan-2-yl)oxane-4-sulfonamide
SMILESCCC(CC#N)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H18N2O3S/c1-2-9(3-6-11)12-16(13,14)10-4-7-15-8-5-10/h9-10,12H,2-5,7-8H2,1H3
InChIKeyAAEYVUZTKISWBN-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.78
Rot. Bonds5

About N-(1-cyanobutan-2-yl)oxane-4-sulfonamide

N-(1-cyanobutan-2-yl)oxane-4-sulfonamide (PubChem CID 62647074) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)oxane-4-sulfonamide
PubChem CID62647074
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-cyanobutan-2-yl)oxane-4-sulfonamide
SMILESCCC(CC#N)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H18N2O3S/c1-2-9(3-6-11)12-16(13,14)10-4-7-15-8-5-10/h9-10,12H,2-5,7-8H2,1H3
InChIKeyAAEYVUZTKISWBN-UHFFFAOYSA-N
XLogP0.78
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanobutan-2-yl)oxane-4-sulfonamide (CID 62647074) is N-(1-cyanobutan-2-yl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)oxane-4-sulfonamide is CCC(CC#N)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)oxane-4-sulfonamide?
The InChIKey is AAEYVUZTKISWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-9(3-6-11)12-16(13,14)10-4-7-15-8-5-10/h9-10,12H,2-5,7-8H2,1H3.
What are the key properties of N-(1-cyanobutan-2-yl)oxane-4-sulfonamide?
N-(1-cyanobutan-2-yl)oxane-4-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)oxane-4-sulfonamide is sourced from PubChem (CID 62647074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).