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

C11H18ClN3O2S2 — CID 61249218

IUPAC2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O2S2/c1-2-5-15-6-3-9(4-7-15)14-19(16,17)10-8-13-11(12)18-10/h8-9,14H,2-7H2,1H3
InChIKeyHLMNLQAKTCIXIN-UHFFFAOYSA-N
MW323.87 g/mol
LogP1.95
Rot. Bonds5

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

2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61249218) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61249218
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O2S2/c1-2-5-15-6-3-9(4-7-15)14-19(16,17)10-8-13-11(12)18-10/h8-9,14H,2-7H2,1H3
InChIKeyHLMNLQAKTCIXIN-UHFFFAOYSA-N
XLogP1.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 51.95
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-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (CID 61249218) is 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is CCCN1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is HLMNLQAKTCIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-2-5-15-6-3-9(4-7-15)14-19(16,17)10-8-13-11(12)18-10/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 323.87 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61249218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).