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

C9H15N3O3S2 — CID 43605422

IUPAC5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C9H15N3O3S2/c1-6-8(16-9(13)11-6)17(14,15)12-4-2-3-7(10)5-12/h7H,2-5,10H2,1H3,(H,11,13)
InChIKeyJPOCJERTHRICHF-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.14
Rot. Bonds2

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

5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 43605422) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID43605422
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C9H15N3O3S2/c1-6-8(16-9(13)11-6)17(14,15)12-4-2-3-7(10)5-12/h7H,2-5,10H2,1H3,(H,11,13)
InChIKeyJPOCJERTHRICHF-UHFFFAOYSA-N
XLogP-0.14
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 43605422) is 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is JPOCJERTHRICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6-8(16-9(13)11-6)17(14,15)12-4-2-3-7(10)5-12/h7H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 277.37 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43605422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).