N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H17N3O3S — CID 60660895

IUPACN-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C12H17N3O3S/c1-9-11(10(2)18-14-9)19(16,17)15-12(8-13)6-4-3-5-7-12/h15H,3-7H2,1-2H3
InChIKeyPGMWHUJKTRLKQD-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.80
Rot. Bonds3

About N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 60660895) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID60660895
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C12H17N3O3S/c1-9-11(10(2)18-14-9)19(16,17)15-12(8-13)6-4-3-5-7-12/h15H,3-7H2,1-2H3
InChIKeyPGMWHUJKTRLKQD-UHFFFAOYSA-N
XLogP1.80
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 60660895) is N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PGMWHUJKTRLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-11(10(2)18-14-9)19(16,17)15-12(8-13)6-4-3-5-7-12/h15H,3-7H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 60660895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).