2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide

C11H16ClN3O3S2 — CID 61042171

IUPAC2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)C(=O)N1CCCCC1
InChIInChI=1S/C11H16ClN3O3S2/c1-8(10(16)15-5-3-2-4-6-15)14-20(17,18)9-7-13-11(12)19-9/h7-8,14H,2-6H2,1H3
InChIKeyPHCQPPDAKODYGH-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.48
Rot. Bonds4

About 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61042171) has the molecular formula C11H16ClN3O3S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61042171
Molecular FormulaC11H16ClN3O3S2
Molecular Weight337.85 g/mol
Exact Mass337.03
IUPAC Name2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)C(=O)N1CCCCC1
InChIInChI=1S/C11H16ClN3O3S2/c1-8(10(16)15-5-3-2-4-6-15)14-20(17,18)9-7-13-11(12)19-9/h7-8,14H,2-6H2,1H3
InChIKeyPHCQPPDAKODYGH-UHFFFAOYSA-N
XLogP1.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 61042171) is 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide is CC(NS(=O)(=O)c1cnc(Cl)s1)C(=O)N1CCCCC1.
What is the InChIKey of 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PHCQPPDAKODYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2/c1-8(10(16)15-5-3-2-4-6-15)14-20(17,18)9-7-13-11(12)19-9/h7-8,14H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 337.85 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).