thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone

C14H22N4O3S3 — CID 52802690

IUPACthiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1
InChIInChI=1S/C14H22N4O3S3/c1-10-13(11(2)16(3)15-10)24(20,21)18-9-23-8-12(18)14(19)17-4-6-22-7-5-17/h12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyRGWXKSGSNHIJHZ-GFCCVEGCSA-N
MW390.56 g/mol
LogP0.68
Rot. Bonds3

About thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone

thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone (PubChem CID 52802690) has the molecular formula C14H22N4O3S3 and a molecular weight of 390.56 g/mol. Its IUPAC name is thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone
PubChem CID52802690
Molecular FormulaC14H22N4O3S3
Molecular Weight390.56 g/mol
Exact Mass390.09
IUPAC Namethiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1
InChIInChI=1S/C14H22N4O3S3/c1-10-13(11(2)16(3)15-10)24(20,21)18-9-23-8-12(18)14(19)17-4-6-22-7-5-17/h12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyRGWXKSGSNHIJHZ-GFCCVEGCSA-N
XLogP0.68
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone (CID 52802690) is thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone is Cc1nn(C)c(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is RGWXKSGSNHIJHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O3S3/c1-10-13(11(2)16(3)15-10)24(20,21)18-9-23-8-12(18)14(19)17-4-6-22-7-5-17/h12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone?
thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 390.56 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 52802690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).