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

C19H32N4O4S — CID 42869391

IUPAC3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN(C)c1ccc(C2C(S(=O)(=O)NCCCN3CCOCC3)CON2C)cc1
InChIInChI=1S/C19H32N4O4S/c1-21(2)17-7-5-16(6-8-17)19-18(15-27-22(19)3)28(24,25)20-9-4-10-23-11-13-26-14-12-23/h5-8,18-20H,4,9-15H2,1-3H3
InChIKeyREAZAPWUNWQQST-UHFFFAOYSA-N
MW412.56 g/mol
LogP0.68
Rot. Bonds8

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

3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869391) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42869391
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN(C)c1ccc(C2C(S(=O)(=O)NCCCN3CCOCC3)CON2C)cc1
InChIInChI=1S/C19H32N4O4S/c1-21(2)17-7-5-16(6-8-17)19-18(15-27-22(19)3)28(24,25)20-9-4-10-23-11-13-26-14-12-23/h5-8,18-20H,4,9-15H2,1-3H3
InChIKeyREAZAPWUNWQQST-UHFFFAOYSA-N
XLogP0.68
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 50.68
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869390
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
3-acetyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3141352
(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000491
1-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9257800
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
(5R)-5-[4-(dimethylamino)phenyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 28699171

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide (CID 42869391) is 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide is CN(C)c1ccc(C2C(S(=O)(=O)NCCCN3CCOCC3)CON2C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is REAZAPWUNWQQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-21(2)17-7-5-16(6-8-17)19-18(15-27-22(19)3)28(24,25)20-9-4-10-23-11-13-26-14-12-23/h5-8,18-20H,4,9-15H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide?
3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 412.56 g/mol, XLogP of 0.68, 8 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-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).