3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

C14H20N2O4S — CID 110719480

IUPAC3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)(C)N2CCOC2=O)c1
InChIInChI=1S/C14H20N2O4S/c1-11-5-4-6-12(9-11)21(18,19)15-10-14(2,3)16-7-8-20-13(16)17/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyVLFBNQGABTZYCO-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.50
Rot. Bonds5

About 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (PubChem CID 110719480) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
PubChem CID110719480
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)(C)N2CCOC2=O)c1
InChIInChI=1S/C14H20N2O4S/c1-11-5-4-6-12(9-11)21(18,19)15-10-14(2,3)16-7-8-20-13(16)17/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyVLFBNQGABTZYCO-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719461
N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]butane-1-sulfonamide
CID 110719457
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 103835403
3-hydroxy-3-methyl-4-[(3-methylphenyl)sulfonylamino]butanoic acid
CID 66001569
N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
CID 106251096
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
2,6-dimethoxy-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719392
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea
CID 110747899
N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 121186921

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (CID 110719480) is 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(C)(C)N2CCOC2=O)c1.
What is the InChIKey of 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The InChIKey is VLFBNQGABTZYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-5-4-6-12(9-11)21(18,19)15-10-14(2,3)16-7-8-20-13(16)17/h4-6,9,15H,7-8,10H2,1-3H3.
What are the key properties of 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 110719480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).