N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide

C14H24N2O3S — CID 62048441

IUPACN-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-2-12-3-7-14(11-15,8-4-12)16-20(17,18)13-5-9-19-10-6-13/h12-13,16H,2-10H2,1H3
InChIKeyYQZZENYIWWSCDY-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.95
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide

N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide (PubChem CID 62048441) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide
PubChem CID62048441
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-2-12-3-7-14(11-15,8-4-12)16-20(17,18)13-5-9-19-10-6-13/h12-13,16H,2-10H2,1H3
InChIKeyYQZZENYIWWSCDY-UHFFFAOYSA-N
XLogP1.95
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide (CID 62048441) is N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide is CCC1CCC(C#N)(NS(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide?
The InChIKey is YQZZENYIWWSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-12-3-7-14(11-15,8-4-12)16-20(17,18)13-5-9-19-10-6-13/h12-13,16H,2-10H2,1H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide?
N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).