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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Related Compounds

3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide
CID 42869391
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000491
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108
methyl 2-(2-morpholin-4-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342202
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
3-acetyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3141352

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).