4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one

C12H19N3O4S2 — CID 63175000

IUPAC4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H19N3O4S2/c1-9-11(20-12(16)13-9)21(17,18)15-3-2-10(8-15)14-4-6-19-7-5-14/h10H,2-8H2,1H3,(H,13,16)
InChIKeyVUUGTUULPAZLRX-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.16
Rot. Bonds3

About 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 63175000) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
PubChem CID63175000
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H19N3O4S2/c1-9-11(20-12(16)13-9)21(17,18)15-3-2-10(8-15)14-4-6-19-7-5-14/h10H,2-8H2,1H3,(H,13,16)
InChIKeyVUUGTUULPAZLRX-UHFFFAOYSA-N
XLogP-0.16
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (CID 63175000) is 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is VUUGTUULPAZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-9-11(20-12(16)13-9)21(17,18)15-3-2-10(8-15)14-4-6-19-7-5-14/h10H,2-8H2,1H3,(H,13,16).
What are the key properties of 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 333.44 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 63175000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).