N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide

C12H21N3O3S2 — CID 131943522

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide
SMILESCCc1nc(CNS(=O)(=O)N2CCC(OC)CC2)cs1
InChIInChI=1S/C12H21N3O3S2/c1-3-12-14-10(9-19-12)8-13-20(16,17)15-6-4-11(18-2)5-7-15/h9,11,13H,3-8H2,1-2H3
InChIKeyHGFLCCGHXMBKIS-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.15
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide (PubChem CID 131943522) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide
PubChem CID131943522
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide
SMILESCCc1nc(CNS(=O)(=O)N2CCC(OC)CC2)cs1
InChIInChI=1S/C12H21N3O3S2/c1-3-12-14-10(9-19-12)8-13-20(16,17)15-6-4-11(18-2)5-7-15/h9,11,13H,3-8H2,1-2H3
InChIKeyHGFLCCGHXMBKIS-UHFFFAOYSA-N
XLogP1.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131940167
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131924351
3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 131931237
4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
CID 122561984
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 164642997
4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 131905448
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396376
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxypiperidine-1-sulfonamide
CID 131912670
(2R)-N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 164637008
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-sulfonamide
CID 47240186
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide (CID 131943522) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide is CCc1nc(CNS(=O)(=O)N2CCC(OC)CC2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide?
The InChIKey is HGFLCCGHXMBKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-3-12-14-10(9-19-12)8-13-20(16,17)15-6-4-11(18-2)5-7-15/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide is sourced from PubChem (CID 131943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).