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

C12H21N3O2S2 — CID 103951467

IUPAC2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H21N3O2S2/c1-3-8-15(11-4-6-13-7-5-11)19(16,17)12-9-14-10(2)18-12/h9,11,13H,3-8H2,1-2H3
InChIKeyWOBVVYHFVFSNRW-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.60
Rot. Bonds5

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

2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide (PubChem CID 103951467) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
PubChem CID103951467
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H21N3O2S2/c1-3-8-15(11-4-6-13-7-5-11)19(16,17)12-9-14-10(2)18-12/h9,11,13H,3-8H2,1-2H3
InChIKeyWOBVVYHFVFSNRW-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103415221
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415990
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
N-[2-[5-[piperidin-4-yl(propyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 119993872
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide (CID 103951467) is 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WOBVVYHFVFSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-8-15(11-4-6-13-7-5-11)19(16,17)12-9-14-10(2)18-12/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide?
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103951467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).