N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide

C13H23N3O2S2 — CID 71997194

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCCc1cnc(CCNS(=O)(=O)N2CCCC(C)C2)s1
InChIInChI=1S/C13H23N3O2S2/c1-3-12-9-14-13(19-12)6-7-15-20(17,18)16-8-4-5-11(2)10-16/h9,11,15H,3-8,10H2,1-2H3
InChIKeyLOCLENFMAYIMKQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 71997194) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID71997194
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCCc1cnc(CCNS(=O)(=O)N2CCCC(C)C2)s1
InChIInChI=1S/C13H23N3O2S2/c1-3-12-9-14-13(19-12)6-7-15-20(17,18)16-8-4-5-11(2)10-16/h9,11,15H,3-8,10H2,1-2H3
InChIKeyLOCLENFMAYIMKQ-UHFFFAOYSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 146092790
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 46595882
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 71997194) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide is CCc1cnc(CCNS(=O)(=O)N2CCCC(C)C2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is LOCLENFMAYIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-3-12-9-14-13(19-12)6-7-15-20(17,18)16-8-4-5-11(2)10-16/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 71997194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).