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

C13H22N2O4S — CID 48945511

IUPACN-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCOC1CCCC1
InChIInChI=1S/C13H22N2O4S/c1-10-13(11(2)19-15-10)20(16,17)14-8-5-9-18-12-6-3-4-7-12/h12,14H,3-9H2,1-2H3
InChIKeyJVMHETNFSNNYNF-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.92
Rot. Bonds7

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

N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 48945511) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID48945511
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCOC1CCCC1
InChIInChI=1S/C13H22N2O4S/c1-10-13(11(2)19-15-10)20(16,17)14-8-5-9-18-12-6-3-4-7-12/h12,14H,3-9H2,1-2H3
InChIKeyJVMHETNFSNNYNF-UHFFFAOYSA-N
XLogP1.92
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-1,2-oxazole-4-sulfonamide
CID 55681869

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 48945511) is N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCOC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JVMHETNFSNNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10-13(11(2)19-15-10)20(16,17)14-8-5-9-18-12-6-3-4-7-12/h12,14H,3-9H2,1-2H3.
What are the key properties of N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 48945511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).