3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide

C15H21NO5S2 — CID 56692775

IUPAC3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
SMILESCc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2N2CCOCC2)cc1
InChIInChI=1S/C15H21NO5S2/c1-12-2-4-13(5-3-12)23(19,20)15-11-22(17,18)10-14(15)16-6-8-21-9-7-16/h2-5,14-15H,6-11H2,1H3
InChIKeyNDJRXBUSJQQVOW-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.27
Rot. Bonds3

About 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide

3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide (PubChem CID 56692775) has the molecular formula C15H21NO5S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
PubChem CID56692775
Molecular FormulaC15H21NO5S2
Molecular Weight359.47 g/mol
Exact Mass359.09
IUPAC Name3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
SMILESCc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2N2CCOCC2)cc1
InChIInChI=1S/C15H21NO5S2/c1-12-2-4-13(5-3-12)23(19,20)15-11-22(17,18)10-14(15)16-6-8-21-9-7-16/h2-5,14-15H,6-11H2,1H3
InChIKeyNDJRXBUSJQQVOW-UHFFFAOYSA-N
XLogP0.27
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4R)-3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 6552146
(3S,4R)-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylthiolane 1,1-dioxide
CID 124654948
(3R,4S)-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylthiolane 1,1-dioxide
CID 20897800
(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 20897972
(3S,4R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)sulfonylthiolane 1,1-dioxide
CID 20897840
(3R,4S)-3-(4-ethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)thiolane 1,1-dioxide
CID 39774449
(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 124655620
(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)thiolane 1,1-dioxide
CID 21006172
(3S,4R)-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)-1,1-dioxothiolan-3-amine
CID 21006032
1-[4-[(3R,4S)-4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 124647908
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
(3S,4R)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-(4-methylphenyl)sulfonyl-1,1-dioxothiolan-3-amine
CID 21006037

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide (CID 56692775) is 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide is Cc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
The InChIKey is NDJRXBUSJQQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S2/c1-12-2-4-13(5-3-12)23(19,20)15-11-22(17,18)10-14(15)16-6-8-21-9-7-16/h2-5,14-15H,6-11H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide has a molecular weight of 359.47 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 56692775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).