N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H20N2O3S — CID 6621710

IUPACN-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C12H20N2O3S/c1-9-12(10(2)17-13-9)18(15,16)14-11-7-5-3-4-6-8-11/h11,14H,3-8H2,1-2H3
InChIKeyIDJMBJJDYXZWTD-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.29
Rot. Bonds3

About N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 6621710) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID6621710
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C12H20N2O3S/c1-9-12(10(2)17-13-9)18(15,16)14-11-7-5-3-4-6-8-11/h11,14H,3-8H2,1-2H3
InChIKeyIDJMBJJDYXZWTD-UHFFFAOYSA-N
XLogP2.29
TPSA72.20 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 6621710) is N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IDJMBJJDYXZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-12(10(2)17-13-9)18(15,16)14-11-7-5-3-4-6-8-11/h11,14H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 6621710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).