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

C11H22N2O3S — CID 79593861

IUPACN-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-10(2)13(7-5-6-12)17(14,15)9-8-16-11(3)4/h10-11H,5,7-9H2,1-4H3
InChIKeyOIKHYKGULVAKTE-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.37
Rot. Bonds8

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

N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593861) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
PubChem CID79593861
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-10(2)13(7-5-6-12)17(14,15)9-8-16-11(3)4/h10-11H,5,7-9H2,1-4H3
InChIKeyOIKHYKGULVAKTE-UHFFFAOYSA-N
XLogP1.37
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide (CID 79593861) is N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is OIKHYKGULVAKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(2)13(7-5-6-12)17(14,15)9-8-16-11(3)4/h10-11H,5,7-9H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).