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

C12H20N2O3S2 — CID 103501139

IUPAC4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H20N2O3S2/c1-8(2)10-4-6-14(7-5-10)19(16,17)11-9(3)13-12(15)18-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyJCAQZNSWDXDYPH-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.80
Rot. Bonds3

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

4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 103501139) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
PubChem CID103501139
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H20N2O3S2/c1-8(2)10-4-6-14(7-5-10)19(16,17)11-9(3)13-12(15)18-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyJCAQZNSWDXDYPH-UHFFFAOYSA-N
XLogP1.80
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (CID 103501139) is 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is JCAQZNSWDXDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8(2)10-4-6-14(7-5-10)19(16,17)11-9(3)13-12(15)18-11/h8,10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 304.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103501139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).