4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine

C16H25NO4S — CID 27261564

IUPAC4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
SMILESCCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H25NO4S/c1-4-5-8-21-15-11-13(2)14(3)12-16(15)22(18,19)17-6-9-20-10-7-17/h11-12H,4-10H2,1-3H3
InChIKeyWPMUKFFMWBEHRF-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.50
Rot. Bonds6

About 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine

4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine (PubChem CID 27261564) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
PubChem CID27261564
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
SMILESCCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H25NO4S/c1-4-5-8-21-15-11-13(2)14(3)12-16(15)22(18,19)17-6-9-20-10-7-17/h11-12H,4-10H2,1-3H3
InChIKeyWPMUKFFMWBEHRF-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817640
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 40793380
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine (CID 27261564) is 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine is CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine?
The InChIKey is WPMUKFFMWBEHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-4-5-8-21-15-11-13(2)14(3)12-16(15)22(18,19)17-6-9-20-10-7-17/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine?
4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine has a molecular weight of 327.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 27261564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).