3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide

C8H14N2O3S — CID 6624547

IUPAC3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C8H14N2O3S/c1-5(2)10-14(11,12)8-6(3)9-13-7(8)4/h5,10H,1-4H3
InChIKeyWLPNLAYOLPZSBK-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.98
Rot. Bonds3

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

3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide (PubChem CID 6624547) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
PubChem CID6624547
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C8H14N2O3S/c1-5(2)10-14(11,12)8-6(3)9-13-7(8)4/h5,10H,1-4H3
InChIKeyWLPNLAYOLPZSBK-UHFFFAOYSA-N
XLogP0.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide (CID 6624547) is 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
The InChIKey is WLPNLAYOLPZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-5(2)10-14(11,12)8-6(3)9-13-7(8)4/h5,10H,1-4H3.
What are the key properties of 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 6624547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).