3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide

C14H19NO7S3 — CID 42654967

IUPAC3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C14H19NO7S3/c16-23(17)9-4-14(11-23)24(18,19)12-2-1-3-13(10-12)25(20,21)15-5-7-22-8-6-15/h1-3,10,14H,4-9,11H2
InChIKeyMVZOIRNDWZVWQW-UHFFFAOYSA-N
MW409.51 g/mol
LogP-0.33
Rot. Bonds4

About 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide

3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide (PubChem CID 42654967) has the molecular formula C14H19NO7S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide
PubChem CID42654967
Molecular FormulaC14H19NO7S3
Molecular Weight409.51 g/mol
Exact Mass409.03
IUPAC Name3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C14H19NO7S3/c16-23(17)9-4-14(11-23)24(18,19)12-2-1-3-13(10-12)25(20,21)15-5-7-22-8-6-15/h1-3,10,14H,4-9,11H2
InChIKeyMVZOIRNDWZVWQW-UHFFFAOYSA-N
XLogP-0.33
TPSA114.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-(Phenylsulfonyl)morpholine
CID 95050
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
Sulfone, 4-fluorophenyl 2-morpholinoethyl, hydrochloride
CID 214241
1-({3-[(1,1-Dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}sulfonyl)-4-methylpiperazine
CID 42656071
4-{[3-(Morpholin-4-ylsulfonyl)phenyl]sulfonyl}morpholine
CID 1079028
4-{[4-(Methylsulfanyl)phenyl]sulfonyl}morpholine
CID 967774
4-(4-Benzenesulfonyl-benzenesulfonyl)-morpholine
CID 559422
4-{[3-(Phenylsulfonyl)phenyl]sulfonyl}morpholine
CID 1076712
4-{[3-(Methylsulfonyl)phenyl]sulfonyl}thiomorpholine
CID 1217083
4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide
CID 2811173

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide (CID 42654967) is 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide is O=S1(=O)CCC(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1.
What is the InChIKey of 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide?
The InChIKey is MVZOIRNDWZVWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO7S3/c16-23(17)9-4-14(11-23)24(18,19)12-2-1-3-13(10-12)25(20,21)15-5-7-22-8-6-15/h1-3,10,14H,4-9,11H2.
What are the key properties of 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide?
3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide has a molecular weight of 409.51 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylsulfonylphenyl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 42654967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).