1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea

C16H25N3O3S — CID 167744917

IUPAC1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea
SMILESCC1CN(CCNC(=O)Nc2ccc(S(C)=O)cc2)C(C)CO1
InChIInChI=1S/C16H25N3O3S/c1-12-11-22-13(2)10-19(12)9-8-17-16(20)18-14-4-6-15(7-5-14)23(3)21/h4-7,12-13H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyYUMZLBHQFBRIFJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.65
Rot. Bonds5

About 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea

1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea (PubChem CID 167744917) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea
PubChem CID167744917
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea
SMILESCC1CN(CCNC(=O)Nc2ccc(S(C)=O)cc2)C(C)CO1
InChIInChI=1S/C16H25N3O3S/c1-12-11-22-13(2)10-19(12)9-8-17-16(20)18-14-4-6-15(7-5-14)23(3)21/h4-7,12-13H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyYUMZLBHQFBRIFJ-UHFFFAOYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-4-fluoroaniline
CID 62561905
N-(3-amino-4-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544160
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-2-methylaniline
CID 62560224
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62559855
2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline
CID 62561906
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopropanamine
CID 60841046
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea
CID 110637567
methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
CID 43544788
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
2-(2,5-dimethylmorpholin-4-yl)-N-(2,6-dimethylphenyl)acetamide
CID 86928374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea?
The IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea (CID 167744917) is 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea.
What is the SMILES notation for 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea?
The canonical SMILES for 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea is CC1CN(CCNC(=O)Nc2ccc(S(C)=O)cc2)C(C)CO1.
What is the InChIKey of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea?
The InChIKey is YUMZLBHQFBRIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-11-22-13(2)10-19(12)9-8-17-16(20)18-14-4-6-15(7-5-14)23(3)21/h4-7,12-13H,8-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea?
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea has a molecular weight of 339.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-(4-methylsulfinylphenyl)urea is sourced from PubChem (CID 167744917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).