4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine

C18H28N2O4S — CID 167009186

IUPAC4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCCCC1(OC)CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N2O4S/c1-3-8-18(23-2)14-19(15-18)13-16-6-4-5-7-17(16)25(21,22)20-9-11-24-12-10-20/h4-7H,3,8-15H2,1-2H3
InChIKeyPURIEHXQZBITJG-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.71
Rot. Bonds7

About 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 167009186) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID167009186
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCCCC1(OC)CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N2O4S/c1-3-8-18(23-2)14-19(15-18)13-16-6-4-5-7-17(16)25(21,22)20-9-11-24-12-10-20/h4-7H,3,8-15H2,1-2H3
InChIKeyPURIEHXQZBITJG-UHFFFAOYSA-N
XLogP1.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009188
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CID 170669040
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-ethoxy-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 56801921
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 42954505
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 167009186) is 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine is CCCC1(OC)CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is PURIEHXQZBITJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-8-18(23-2)14-19(15-18)13-16-6-4-5-7-17(16)25(21,22)20-9-11-24-12-10-20/h4-7H,3,8-15H2,1-2H3.
What are the key properties of 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 368.50 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 167009186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).