N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

C11H16ClN3O3S2 — CID 61053296

IUPACN-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2sc(Cl)nc2C)CC1
InChIInChI=1S/C11H16ClN3O3S2/c1-7-10(19-11(12)13-7)20(17,18)14-9-3-5-15(6-4-9)8(2)16/h9,14H,3-6H2,1-2H3
InChIKeyUBKVWYXXLLQHAT-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.39
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61053296) has the molecular formula C11H16ClN3O3S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61053296
Molecular FormulaC11H16ClN3O3S2
Molecular Weight337.85 g/mol
Exact Mass337.03
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2sc(Cl)nc2C)CC1
InChIInChI=1S/C11H16ClN3O3S2/c1-7-10(19-11(12)13-7)20(17,18)14-9-3-5-15(6-4-9)8(2)16/h9,14H,3-6H2,1-2H3
InChIKeyUBKVWYXXLLQHAT-UHFFFAOYSA-N
XLogP1.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (CID 61053296) is N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2sc(Cl)nc2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UBKVWYXXLLQHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2/c1-7-10(19-11(12)13-7)20(17,18)14-9-3-5-15(6-4-9)8(2)16/h9,14H,3-6H2,1-2H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 337.85 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).