N-(1-cyanocyclohexyl)oxane-4-sulfonamide

C12H20N2O3S — CID 62048264

IUPACN-(1-cyanocyclohexyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCCC1
InChIInChI=1S/C12H20N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)11-4-8-17-9-5-11/h11,14H,1-9H2
InChIKeyZXINHNJBNFZVJZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.31
Rot. Bonds3

About N-(1-cyanocyclohexyl)oxane-4-sulfonamide

N-(1-cyanocyclohexyl)oxane-4-sulfonamide (PubChem CID 62048264) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)oxane-4-sulfonamide
PubChem CID62048264
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-cyanocyclohexyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCCC1
InChIInChI=1S/C12H20N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)11-4-8-17-9-5-11/h11,14H,1-9H2
InChIKeyZXINHNJBNFZVJZ-UHFFFAOYSA-N
XLogP1.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)oxane-4-sulfonamide (CID 62048264) is N-(1-cyanocyclohexyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)oxane-4-sulfonamide is N#CC1(NS(=O)(=O)C2CCOCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)oxane-4-sulfonamide?
The InChIKey is ZXINHNJBNFZVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)11-4-8-17-9-5-11/h11,14H,1-9H2.
What are the key properties of N-(1-cyanocyclohexyl)oxane-4-sulfonamide?
N-(1-cyanocyclohexyl)oxane-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).