N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide

C11H20N2O3S — CID 55031206

IUPACN-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3S/c1-3-13(9-10(2)8-12)17(14,15)11-4-6-16-7-5-11/h10-11H,3-7,9H2,1-2H3
InChIKeyKQDJZLWMLZJVQI-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.98
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide

N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide (PubChem CID 55031206) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
PubChem CID55031206
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3S/c1-3-13(9-10(2)8-12)17(14,15)11-4-6-16-7-5-11/h10-11H,3-7,9H2,1-2H3
InChIKeyKQDJZLWMLZJVQI-UHFFFAOYSA-N
XLogP0.98
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95253189
N-(2-cyanoethyl)-N-ethyl-1-(oxolan-3-yl)methanesulfonamide
CID 56789899
N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 55137240
N-(2-cyanoethyl)-3-methoxy-N-(2-methylpropyl)propane-1-sulfonamide
CID 55170764
N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide
CID 55208208
N-(2-cyanoethyl)-N-ethyloxane-4-sulfonamide
CID 55209945
N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
CID 55211798
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 55219622
N-(2-cyanopropyl)-N-ethyl-2-methoxyethanesulfonamide
CID 61609234
N-(2-cyanopropyl)-2-methoxy-N-methylethanesulfonamide
CID 61609236
N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide
CID 62047719
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
CID 62048608

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide (CID 55031206) is N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide is CCN(CC(C)C#N)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide?
The InChIKey is KQDJZLWMLZJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-13(9-10(2)8-12)17(14,15)11-4-6-16-7-5-11/h10-11H,3-7,9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide?
N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide is sourced from PubChem (CID 55031206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).