N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C14H20N4O4S2 — CID 56870907

IUPACN-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)s1
InChIInChI=1S/C14H20N4O4S2/c1-10(19)16-14-15-9-13(23-14)24(21,22)17-7-4-11(5-8-17)18-6-2-3-12(18)20/h9,11H,2-8H2,1H3,(H,15,16,19)
InChIKeyJTQJEQDKOGFJPA-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.88
Rot. Bonds4

About N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 56870907) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID56870907
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC NameN-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)s1
InChIInChI=1S/C14H20N4O4S2/c1-10(19)16-14-15-9-13(23-14)24(21,22)17-7-4-11(5-8-17)18-6-2-3-12(18)20/h9,11H,2-8H2,1H3,(H,15,16,19)
InChIKeyJTQJEQDKOGFJPA-UHFFFAOYSA-N
XLogP0.88
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 56870907) is N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)s1.
What is the InChIKey of N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is JTQJEQDKOGFJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c1-10(19)16-14-15-9-13(23-14)24(21,22)17-7-4-11(5-8-17)18-6-2-3-12(18)20/h9,11H,2-8H2,1H3,(H,15,16,19).
What are the key properties of N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56870907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).