3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide

C11H18N2O4S — CID 94192827

IUPAC3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H]1CCCOC1
InChIInChI=1S/C11H18N2O4S/c1-8-11(9(2)17-13-8)18(14,15)12-6-10-4-3-5-16-7-10/h10,12H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyBENXLOHZKXHABX-SNVBAGLBSA-N
MW274.34 g/mol
LogP1.00
Rot. Bonds4

About 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 94192827) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID94192827
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H]1CCCOC1
InChIInChI=1S/C11H18N2O4S/c1-8-11(9(2)17-13-8)18(14,15)12-6-10-4-3-5-16-7-10/h10,12H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyBENXLOHZKXHABX-SNVBAGLBSA-N
XLogP1.00
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[[(3S)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192826
3,5-dimethyl-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 119104066
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 66007194
3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119974164
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 146043338
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 97314358
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 90621895
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 42949928
2,5-dibromo-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80708344
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 94192827) is 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@H]1CCCOC1.
What is the InChIKey of 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is BENXLOHZKXHABX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8-11(9(2)17-13-8)18(14,15)12-6-10-4-3-5-16-7-10/h10,12H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 94192827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).