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

C11H17N3O3S2 — CID 27241439

IUPACN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-8-3-5-14(6-4-8)19(16,17)10-7-12-11(18-10)13-9(2)15/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyGHXWRYLRLWLZQB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.52
Rot. Bonds3

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

N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 27241439) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID27241439
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-8-3-5-14(6-4-8)19(16,17)10-7-12-11(18-10)13-9(2)15/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyGHXWRYLRLWLZQB-UHFFFAOYSA-N
XLogP1.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide (CID 27241439) is N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCC(C)CC2)s1.
What is the InChIKey of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GHXWRYLRLWLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-8-3-5-14(6-4-8)19(16,17)10-7-12-11(18-10)13-9(2)15/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 27241439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).