2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide

C9H14ClN3O2S2 — CID 83015078

IUPAC2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C9H14ClN3O2S2/c1-7-8(16-9(10)11-7)17(14,15)12-13-5-3-2-4-6-13/h12H,2-6H2,1H3
InChIKeyOAMTYXXKKGYSFL-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.78
Rot. Bonds3

About 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide (PubChem CID 83015078) has the molecular formula C9H14ClN3O2S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide
PubChem CID83015078
Molecular FormulaC9H14ClN3O2S2
Molecular Weight295.82 g/mol
Exact Mass295.02
IUPAC Name2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C9H14ClN3O2S2/c1-7-8(16-9(10)11-7)17(14,15)12-13-5-3-2-4-6-13/h12H,2-6H2,1H3
InChIKeyOAMTYXXKKGYSFL-UHFFFAOYSA-N
XLogP1.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide (CID 83015078) is 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is OAMTYXXKKGYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S2/c1-7-8(16-9(10)11-7)17(14,15)12-13-5-3-2-4-6-13/h12H,2-6H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 295.82 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 83015078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).