4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine

C15H25N3O4S — CID 112502616

IUPAC4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
SMILESCOc1ccc(C(CNS(=O)(=O)N(C)C)N2CCOCC2)cc1
InChIInChI=1S/C15H25N3O4S/c1-17(2)23(19,20)16-12-15(18-8-10-22-11-9-18)13-4-6-14(21-3)7-5-13/h4-7,15-16H,8-12H2,1-3H3
InChIKeyYNQUBMJKDAOBHQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.46
Rot. Bonds7

About 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine

4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine (PubChem CID 112502616) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
PubChem CID112502616
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
SMILESCOc1ccc(C(CNS(=O)(=O)N(C)C)N2CCOCC2)cc1
InChIInChI=1S/C15H25N3O4S/c1-17(2)23(19,20)16-12-15(18-8-10-22-11-9-18)13-4-6-14(21-3)7-5-13/h4-7,15-16H,8-12H2,1-3H3
InChIKeyYNQUBMJKDAOBHQ-UHFFFAOYSA-N
XLogP0.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 30836035
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]ethanesulfonamide
CID 7498187
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpentan-2-amine
CID 119164696
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine?
The IUPAC name of 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine (CID 112502616) is 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine is COc1ccc(C(CNS(=O)(=O)N(C)C)N2CCOCC2)cc1.
What is the InChIKey of 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine?
The InChIKey is YNQUBMJKDAOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-17(2)23(19,20)16-12-15(18-8-10-22-11-9-18)13-4-6-14(21-3)7-5-13/h4-7,15-16H,8-12H2,1-3H3.
What are the key properties of 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine?
4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine has a molecular weight of 343.45 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine is sourced from PubChem (CID 112502616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).