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

C14H23N3O3S2 — CID 53149478

IUPACN-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C14H23N3O3S2/c1-10(2)22(19,20)17-6-4-5-12(8-17)14-16-13(9-21-14)7-15-11(3)18/h9-10,12H,4-8H2,1-3H3,(H,15,18)
InChIKeyZKTLRNWNRRQUMC-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.70
Rot. Bonds5

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

N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 53149478) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID53149478
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C14H23N3O3S2/c1-10(2)22(19,20)17-6-4-5-12(8-17)14-16-13(9-21-14)7-15-11(3)18/h9-10,12H,4-8H2,1-3H3,(H,15,18)
InChIKeyZKTLRNWNRRQUMC-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide (CID 53149478) is N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCCN(S(=O)(=O)C(C)C)C2)n1.
What is the InChIKey of N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is ZKTLRNWNRRQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-10(2)22(19,20)17-6-4-5-12(8-17)14-16-13(9-21-14)7-15-11(3)18/h9-10,12H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53149478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).