4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine

C18H28N2O3S — CID 170669040

IUPAC4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC(C)C1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N2O3S/c1-15(2)16-7-8-19(13-16)14-17-5-3-4-6-18(17)24(21,22)20-9-11-23-12-10-20/h3-6,15-16H,7-14H2,1-2H3
InChIKeyUVUVKIJOOURESR-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.19
Rot. Bonds5

About 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 170669040) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID170669040
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC(C)C1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N2O3S/c1-15(2)16-7-8-19(13-16)14-17-5-3-4-6-18(17)24(21,22)20-9-11-23-12-10-20/h3-6,15-16H,7-14H2,1-2H3
InChIKeyUVUVKIJOOURESR-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60721221
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CID 170669176
4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
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4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine
CID 163259421
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906
4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009188
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 42954505
2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417882
2-amino-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 104824862
2-morpholin-4-ylsulfonylphenol
CID 79020270

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 170669040) is 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine is CC(C)C1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is UVUVKIJOOURESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15(2)16-7-8-19(13-16)14-17-5-3-4-6-18(17)24(21,22)20-9-11-23-12-10-20/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 352.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 170669040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).