5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline

C13H20N2O4S — CID 3868598

IUPAC5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C13H20N2O4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyWFUHYEDIZJQFQV-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.08
Rot. Bonds4

About 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline

5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline (PubChem CID 3868598) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
PubChem CID3868598
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C13H20N2O4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyWFUHYEDIZJQFQV-UHFFFAOYSA-N
XLogP1.08
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
CID 3368163
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 935135
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55684681
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24555330
4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 30725240

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
The IUPAC name of 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline (CID 3868598) is 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1N.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
The InChIKey is WFUHYEDIZJQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline has a molecular weight of 300.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 3868598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).