5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide

C15H22N2O4S — CID 110740641

IUPAC5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2COCC2(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O4S/c1-11-6-7-12(8-13(11)22(19,20)16(4)5)14(18)17-10-21-9-15(17,2)3/h6-8H,9-10H2,1-5H3
InChIKeyCTXBLYBJLWWKOT-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.45
Rot. Bonds3

About 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide

5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide (PubChem CID 110740641) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide
PubChem CID110740641
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2COCC2(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O4S/c1-11-6-7-12(8-13(11)22(19,20)16(4)5)14(18)17-10-21-9-15(17,2)3/h6-8H,9-10H2,1-5H3
InChIKeyCTXBLYBJLWWKOT-UHFFFAOYSA-N
XLogP1.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide (CID 110740641) is 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide is Cc1ccc(C(=O)N2COCC2(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is CTXBLYBJLWWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-6-7-12(8-13(11)22(19,20)16(4)5)14(18)17-10-21-9-15(17,2)3/h6-8H,9-10H2,1-5H3.
What are the key properties of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 110740641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).