N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide

C9H18N2O3S — CID 79594289

IUPACN-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C9H18N2O3S/c1-8(2)14-5-6-15(12,13)11-9(3,4)7-10/h8,11H,5-6H2,1-4H3
InChIKeyDQQOQOSKAZIESW-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.63
Rot. Bonds6

About N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide

N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594289) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594289
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C9H18N2O3S/c1-8(2)14-5-6-15(12,13)11-9(3,4)7-10/h8,11H,5-6H2,1-4H3
InChIKeyDQQOQOSKAZIESW-UHFFFAOYSA-N
XLogP0.63
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide (CID 79594289) is N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is DQQOQOSKAZIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8(2)14-5-6-15(12,13)11-9(3,4)7-10/h8,11H,5-6H2,1-4H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).