4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine

C15H23NO2S2 — CID 2804956

IUPAC4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCSCC2)c(C)c1C
InChIInChI=1S/C15H23NO2S2/c1-10-11(2)13(4)15(14(5)12(10)3)20(17,18)16-6-8-19-9-7-16/h6-9H2,1-5H3
InChIKeyPYFQDYUADTYQSD-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.97
Rot. Bonds2

About 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine

4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine (PubChem CID 2804956) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine
PubChem CID2804956
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC Name4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCSCC2)c(C)c1C
InChIInChI=1S/C15H23NO2S2/c1-10-11(2)13(4)15(14(5)12(10)3)20(17,18)16-6-8-19-9-7-16/h6-9H2,1-5H3
InChIKeyPYFQDYUADTYQSD-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3,5,6-Tetramethylphenyl)sulfonyl]thiomorpholine
CID 6462784
1-(Pentamethylbenzenesulfonyl)piperazine hydrochloride
CID 16196345
1-(2,3,4,5,6-Pentamethylphenyl)sulfonylpyrrolidine
CID 2804566
1-(2,3,4,5-Tetramethylphenyl)sulfonylpiperidine
CID 2990879
1-(Pentamethylbenzenesulfonyl)piperazine
CID 2090993
3,5-Dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine
CID 2804564
1,4-Bis[(2,3,4,5,6-pentamethylphenyl)sulfonyl]piperazine
CID 332761
1-(2,3,4,5,6-Pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 42999405
N,N-diethyl-2,4,5-trimethylbenzenesulfonamide
CID 802889
[(2,4,5-Trimethylphenyl)sulfonyl]piperidine
CID 2139891
3-(2,4,5-Trimethylphenyl)sulfonyl-1,3-thiazolidine
CID 2140479
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16277205

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine (CID 2804956) is 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine is Cc1c(C)c(C)c(S(=O)(=O)N2CCSCC2)c(C)c1C.
What is the InChIKey of 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine?
The InChIKey is PYFQDYUADTYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-10-11(2)13(4)15(14(5)12(10)3)20(17,18)16-6-8-19-9-7-16/h6-9H2,1-5H3.
What are the key properties of 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine?
4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine has a molecular weight of 313.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentamethylphenyl)sulfonylthiomorpholine is sourced from PubChem (CID 2804956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).