2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide

C11H16ClN3O4S2 — CID 61052215

IUPAC2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-19-7-9(16)15-4-2-8(3-5-15)14-21(17,18)10-6-13-11(12)20-10/h6,8,14H,2-5,7H2,1H3
InChIKeyVAQGBXCGCWBULY-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.71
Rot. Bonds5

About 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 61052215) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide
PubChem CID61052215
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC Name2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-19-7-9(16)15-4-2-8(3-5-15)14-21(17,18)10-6-13-11(12)20-10/h6,8,14H,2-5,7H2,1H3
InChIKeyVAQGBXCGCWBULY-UHFFFAOYSA-N
XLogP0.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide (CID 61052215) is 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide is COCC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is VAQGBXCGCWBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-19-7-9(16)15-4-2-8(3-5-15)14-21(17,18)10-6-13-11(12)20-10/h6,8,14H,2-5,7H2,1H3.
What are the key properties of 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 353.85 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61052215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).