N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C15H25N3O3S2 — CID 53149481

IUPACN-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C15H25N3O3S2/c1-4-23(20,21)18-7-5-6-12(9-18)15-17-13(10-22-15)8-16-14(19)11(2)3/h10-12H,4-9H2,1-3H3,(H,16,19)
InChIKeyINEZSARLOOBSHJ-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.94
Rot. Bonds6

About N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149481) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149481
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC NameN-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C15H25N3O3S2/c1-4-23(20,21)18-7-5-6-12(9-18)15-17-13(10-22-15)8-16-14(19)11(2)3/h10-12H,4-9H2,1-3H3,(H,16,19)
InChIKeyINEZSARLOOBSHJ-UHFFFAOYSA-N
XLogP1.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149481) is N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1.
What is the InChIKey of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is INEZSARLOOBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-4-23(20,21)18-7-5-6-12(9-18)15-17-13(10-22-15)8-16-14(19)11(2)3/h10-12H,4-9H2,1-3H3,(H,16,19).
What are the key properties of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 359.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).