3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide

C15H21N3O3S — CID 42869600

IUPAC3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)C1CON(C)C1c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O3S/c1-11(2)18(4)22(19,20)14-10-21-17(3)15(14)13-7-5-6-12(8-13)9-16/h5-8,11,14-15H,10H2,1-4H3
InChIKeyOXDPWDXYINWLLY-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.51
Rot. Bonds4

About 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide

3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869600) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
PubChem CID42869600
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)C1CON(C)C1c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O3S/c1-11(2)18(4)22(19,20)14-10-21-17(3)15(14)13-7-5-6-12(8-13)9-16/h5-8,11,14-15H,10H2,1-4H3
InChIKeyOXDPWDXYINWLLY-UHFFFAOYSA-N
XLogP1.51
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
3-[(2S)-oxiran-2-yl]benzonitrile
CID 53471231
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide
CID 42851143
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 124884126
3-(2,2-dimethyl-1,3-dioxolan-4-yl)benzonitrile
CID 117291540
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile
CID 130943305
3-(6-propan-2-ylmorpholin-2-yl)benzonitrile
CID 113492576
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide (CID 42869600) is 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide is CC(C)N(C)S(=O)(=O)C1CON(C)C1c1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is OXDPWDXYINWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11(2)18(4)22(19,20)14-10-21-17(3)15(14)13-7-5-6-12(8-13)9-16/h5-8,11,14-15H,10H2,1-4H3.
What are the key properties of 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).