3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide

C18H30N4O4S — CID 42869390

IUPAC3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN(C)c1ccc(C2C(S(=O)(=O)NCCN3CCOCC3)CON2C)cc1
InChIInChI=1S/C18H30N4O4S/c1-20(2)16-6-4-15(5-7-16)18-17(14-26-21(18)3)27(23,24)19-8-9-22-10-12-25-13-11-22/h4-7,17-19H,8-14H2,1-3H3
InChIKeyRDABAJSINFCMRK-UHFFFAOYSA-N
MW398.53 g/mol
LogP0.29
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide

3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869390) has the molecular formula C18H30N4O4S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42869390
Molecular FormulaC18H30N4O4S
Molecular Weight398.53 g/mol
Exact Mass398.20
IUPAC Name3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN(C)c1ccc(C2C(S(=O)(=O)NCCN3CCOCC3)CON2C)cc1
InChIInChI=1S/C18H30N4O4S/c1-20(2)16-6-4-15(5-7-16)18-17(14-26-21(18)3)27(23,24)19-8-9-22-10-12-25-13-11-22/h4-7,17-19H,8-14H2,1-3H3
InChIKeyRDABAJSINFCMRK-UHFFFAOYSA-N
XLogP0.29
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide (CID 42869390) is 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide is CN(C)c1ccc(C2C(S(=O)(=O)NCCN3CCOCC3)CON2C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is RDABAJSINFCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S/c1-20(2)16-6-4-15(5-7-16)18-17(14-26-21(18)3)27(23,24)19-8-9-22-10-12-25-13-11-22/h4-7,17-19H,8-14H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide?
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).