4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine

C19H22N2O3S — CID 71063992

IUPAC4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
SMILESO=S(=O)(c1ccc(CN2CCOCC2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C19H22N2O3S/c22-25(23,21-14-17-3-1-2-4-18(17)15-21)19-7-5-16(6-8-19)13-20-9-11-24-12-10-20/h1-8H,9-15H2
InChIKeyONZYKHVIKGSSLR-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.22
Rot. Bonds4

About 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine

4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine (PubChem CID 71063992) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
PubChem CID71063992
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
SMILESO=S(=O)(c1ccc(CN2CCOCC2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C19H22N2O3S/c22-25(23,21-14-17-3-1-2-4-18(17)15-21)19-7-5-16(6-8-19)13-20-9-11-24-12-10-20/h1-8H,9-15H2
InChIKeyONZYKHVIKGSSLR-UHFFFAOYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine
CID 59826304
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide
CID 90448930
dilithium;4-benzylmorpholine;sulfite
CID 160525639
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
N-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]piperazin-1-yl]sulfanyl-N-methylmethanamine
CID 145471447
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
tert-butyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]piperazine-1-carboxylate
CID 59826012
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
CID 163259232
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine (CID 71063992) is 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine is O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine?
The InChIKey is ONZYKHVIKGSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-25(23,21-14-17-3-1-2-4-18(17)15-21)19-7-5-16(6-8-19)13-20-9-11-24-12-10-20/h1-8H,9-15H2.
What are the key properties of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine?
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine has a molecular weight of 358.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine is sourced from PubChem (CID 71063992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).