3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

C12H21N3O3S2 — CID 131931237

IUPAC3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)NCc2csc(C)n2)C1
InChIInChI=1S/C12H21N3O3S2/c1-10-14-12(9-19-10)6-13-20(16,17)15-5-3-4-11(7-15)8-18-2/h9,11,13H,3-8H2,1-2H3
InChIKeyQCKYEZQGIOLNGB-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.14
Rot. Bonds6

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

3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 131931237) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID131931237
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)NCc2csc(C)n2)C1
InChIInChI=1S/C12H21N3O3S2/c1-10-14-12(9-19-10)6-13-20(16,17)15-5-3-4-11(7-15)8-18-2/h9,11,13H,3-8H2,1-2H3
InChIKeyQCKYEZQGIOLNGB-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79604712
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131940167
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
3-(methoxymethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 131901449
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
(2R)-N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 164637008
4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
CID 122561984
5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 106587611
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide
CID 131943522
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131924351
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
CID 106590013

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (CID 131931237) is 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is COCC1CCCN(S(=O)(=O)NCc2csc(C)n2)C1.
What is the InChIKey of 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is QCKYEZQGIOLNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-10-14-12(9-19-10)6-13-20(16,17)15-5-3-4-11(7-15)8-18-2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 131931237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).