N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide

C13H22N2O3S — CID 34136811

IUPACN,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C13H22N2O3S/c1-9-6-5-7-12(8-9)15(4)19(16,17)13-10(2)14-18-11(13)3/h9,12H,5-8H2,1-4H3/t9-,12+/m1/s1
InChIKeyCYWFIJLUHZJOIV-SKDRFNHKSA-N
MW286.40 g/mol
LogP2.49
Rot. Bonds3

About N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide (PubChem CID 34136811) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
PubChem CID34136811
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C13H22N2O3S/c1-9-6-5-7-12(8-9)15(4)19(16,17)13-10(2)14-18-11(13)3/h9,12H,5-8H2,1-4H3/t9-,12+/m1/s1
InChIKeyCYWFIJLUHZJOIV-SKDRFNHKSA-N
XLogP2.49
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75425778
N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61447746
N-[(2-hydroxycyclopentyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 109396009
2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444342
N-(1-cyclopropylethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 134018149
N-cyclopropyl-3,5-dimethyl-N-pyridin-2-yl-1,2-oxazole-4-sulfonamide
CID 110723188
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58624073
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 139023355

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide (CID 34136811) is N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is CYWFIJLUHZJOIV-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-6-5-7-12(8-9)15(4)19(16,17)13-10(2)14-18-11(13)3/h9,12H,5-8H2,1-4H3/t9-,12+/m1/s1.
What are the key properties of N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 34136811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).