N-(3-cyanopentan-3-yl)oxane-4-sulfonamide

C11H20N2O3S — CID 55031205

IUPACN-(3-cyanopentan-3-yl)oxane-4-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3S/c1-3-11(4-2,9-12)13-17(14,15)10-5-7-16-8-6-10/h10,13H,3-8H2,1-2H3
InChIKeyRKYMSKHHDJTOQN-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.17
Rot. Bonds5

About N-(3-cyanopentan-3-yl)oxane-4-sulfonamide

N-(3-cyanopentan-3-yl)oxane-4-sulfonamide (PubChem CID 55031205) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)oxane-4-sulfonamide
PubChem CID55031205
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(3-cyanopentan-3-yl)oxane-4-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3S/c1-3-11(4-2,9-12)13-17(14,15)10-5-7-16-8-6-10/h10,13H,3-8H2,1-2H3
InChIKeyRKYMSKHHDJTOQN-UHFFFAOYSA-N
XLogP1.17
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)oxane-4-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)oxane-4-sulfonamide (CID 55031205) is N-(3-cyanopentan-3-yl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)oxane-4-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)oxane-4-sulfonamide?
The InChIKey is RKYMSKHHDJTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-11(4-2,9-12)13-17(14,15)10-5-7-16-8-6-10/h10,13H,3-8H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)oxane-4-sulfonamide?
N-(3-cyanopentan-3-yl)oxane-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)oxane-4-sulfonamide is sourced from PubChem (CID 55031205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).