N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C14H20N4O3S2 — CID 47055459

IUPACN-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cc2cc(=O)n3ccsc3n2)C1
InChIInChI=1S/C14H20N4O3S2/c1-23(20,21)15-8-11-3-2-4-17(9-11)10-12-7-13(19)18-5-6-22-14(18)16-12/h5-7,11,15H,2-4,8-10H2,1H3
InChIKeyBNGYNQXOUKMZMC-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.52
Rot. Bonds5

About N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47055459) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47055459
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC NameN-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cc2cc(=O)n3ccsc3n2)C1
InChIInChI=1S/C14H20N4O3S2/c1-23(20,21)15-8-11-3-2-4-17(9-11)10-12-7-13(19)18-5-6-22-14(18)16-12/h5-7,11,15H,2-4,8-10H2,1H3
InChIKeyBNGYNQXOUKMZMC-UHFFFAOYSA-N
XLogP0.52
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 47055459) is N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(Cc2cc(=O)n3ccsc3n2)C1.
What is the InChIKey of N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BNGYNQXOUKMZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-23(20,21)15-8-11-3-2-4-17(9-11)10-12-7-13(19)18-5-6-22-14(18)16-12/h5-7,11,15H,2-4,8-10H2,1H3.
What are the key properties of N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 356.47 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47055459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).