N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide

C15H25N3O3S2 — CID 53149456

IUPACN-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCCCS(=O)(=O)N1CCCC(c2nc(CNC(C)=O)cs2)C1
InChIInChI=1S/C15H25N3O3S2/c1-3-4-8-23(20,21)18-7-5-6-13(10-18)15-17-14(11-22-15)9-16-12(2)19/h11,13H,3-10H2,1-2H3,(H,16,19)
InChIKeyPPKAPMJRZRPHQE-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.09
Rot. Bonds7

About N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide

N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 53149456) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID53149456
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC NameN-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCCCS(=O)(=O)N1CCCC(c2nc(CNC(C)=O)cs2)C1
InChIInChI=1S/C15H25N3O3S2/c1-3-4-8-23(20,21)18-7-5-6-13(10-18)15-17-14(11-22-15)9-16-12(2)19/h11,13H,3-10H2,1-2H3,(H,16,19)
InChIKeyPPKAPMJRZRPHQE-UHFFFAOYSA-N
XLogP2.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide (CID 53149456) is N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide is CCCCS(=O)(=O)N1CCCC(c2nc(CNC(C)=O)cs2)C1.
What is the InChIKey of N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is PPKAPMJRZRPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-3-4-8-23(20,21)18-7-5-6-13(10-18)15-17-14(11-22-15)9-16-12(2)19/h11,13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 359.52 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53149456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).