propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide

C10H20N2O3S — CID 170621891

IUPACpropane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
SMILESCCC.Cc1noc(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C7H12N2O3S.C3H8/c1-5-7(6(2)12-8-5)13(10,11)9(3)4;1-3-2/h1-4H3;3H2,1-2H3
InChIKeyCHKBDYZOAIFQQH-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.96
Rot. Bonds2

About propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide

propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide (PubChem CID 170621891) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Namepropane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
PubChem CID170621891
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Namepropane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
SMILESCCC.Cc1noc(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C7H12N2O3S.C3H8/c1-5-7(6(2)12-8-5)13(10,11)9(3)4;1-3-2/h1-4H3;3H2,1-2H3
InChIKeyCHKBDYZOAIFQQH-UHFFFAOYSA-N
XLogP1.96
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromopropan-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 104556356
N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39350742
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3801195
N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110636148
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58624073
N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47204629
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 28708029
N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 129369481
N-(2-bromoethyl)-3,5-dimethyl-N-pentan-3-yl-1,2-oxazole-4-sulfonamide
CID 80673823
N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 113094567
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174

Frequently Asked Questions

What is the IUPAC name of propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide (CID 170621891) is propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide is CCC.Cc1noc(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CHKBDYZOAIFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S.C3H8/c1-5-7(6(2)12-8-5)13(10,11)9(3)4;1-3-2/h1-4H3;3H2,1-2H3.
What are the key properties of propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide?
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 170621891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).