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

C11H18N2O3S2 — CID 113418411

IUPAC4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C11H18N2O3S2/c1-7(2)9-4-5-13(6-9)18(15,16)10-8(3)12-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,12,14)
InChIKeyCVGWYABLSPQMND-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.41
Rot. Bonds3

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

4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 113418411) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
PubChem CID113418411
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C11H18N2O3S2/c1-7(2)9-4-5-13(6-9)18(15,16)10-8(3)12-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,12,14)
InChIKeyCVGWYABLSPQMND-UHFFFAOYSA-N
XLogP1.41
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (CID 113418411) is 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(C)C)C1.
What is the InChIKey of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is CVGWYABLSPQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-7(2)9-4-5-13(6-9)18(15,16)10-8(3)12-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 113418411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).