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

C19H22N2O2S2 — CID 59826304

IUPAC4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine
SMILESO=S(=O)(c1ccc(CN2CCSCC2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C19H22N2O2S2/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
InChIKeyNFWZHJIIQLMJSK-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.94
Rot. Bonds4

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

4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine (PubChem CID 59826304) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine
PubChem CID59826304
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC Name4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine
SMILESO=S(=O)(c1ccc(CN2CCSCC2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C19H22N2O2S2/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
InChIKeyNFWZHJIIQLMJSK-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
N-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]piperazin-1-yl]sulfanyl-N-methylmethanamine
CID 145471447
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-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine
CID 59826006
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide
CID 90448930
N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 140701304
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59826295
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine?
The IUPAC name of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine (CID 59826304) is 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine is O=S(=O)(c1ccc(CN2CCSCC2)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine?
The InChIKey is NFWZHJIIQLMJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/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]thiomorpholine?
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine has a molecular weight of 374.53 g/mol, XLogP of 2.94, 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]thiomorpholine is sourced from PubChem (CID 59826304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).