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

C19H30N2O4S — CID 163257957

IUPAC4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCOC1(C(C)C)CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-16(2)19(24-3)7-8-20(15-19)14-17-5-4-6-18(13-17)26(22,23)21-9-11-25-12-10-21/h4-6,13,16H,7-12,14-15H2,1-3H3
InChIKeyBQZLQGKXJZBNQW-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.95
Rot. Bonds6

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

4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 163257957) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID163257957
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCOC1(C(C)C)CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-16(2)19(24-3)7-8-20(15-19)14-17-5-4-6-18(13-17)26(22,23)21-9-11-25-12-10-21/h4-6,13,16H,7-12,14-15H2,1-3H3
InChIKeyBQZLQGKXJZBNQW-UHFFFAOYSA-N
XLogP1.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712
4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 42955058

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 163257957) is 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine is COC1(C(C)C)CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1.
What is the InChIKey of 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is BQZLQGKXJZBNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-16(2)19(24-3)7-8-20(15-19)14-17-5-4-6-18(13-17)26(22,23)21-9-11-25-12-10-21/h4-6,13,16H,7-12,14-15H2,1-3H3.
What are the key properties of 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 382.53 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 163257957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).