4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide

C11H19N3O3S2 — CID 122561984

IUPAC4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)NCc2cscn2)CC1
InChIInChI=1S/C11H19N3O3S2/c1-17-7-10-2-4-14(5-3-10)19(15,16)13-6-11-8-18-9-12-11/h8-10,13H,2-7H2,1H3
InChIKeyIANIGHQGQANPEW-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.84
Rot. Bonds6

About 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide

4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 122561984) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID122561984
Molecular FormulaC11H19N3O3S2
Molecular Weight305.42 g/mol
Exact Mass305.09
IUPAC Name4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)NCc2cscn2)CC1
InChIInChI=1S/C11H19N3O3S2/c1-17-7-10-2-4-14(5-3-10)19(15,16)13-6-11-8-18-9-12-11/h8-10,13H,2-7H2,1H3
InChIKeyIANIGHQGQANPEW-UHFFFAOYSA-N
XLogP0.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.84
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-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781
3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 131931237
4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106014232
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide
CID 131943522
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
[2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-pyridinyl]hydrazine
CID 103301600
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide (CID 122561984) is 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide is COCC1CCN(S(=O)(=O)NCc2cscn2)CC1.
What is the InChIKey of 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is IANIGHQGQANPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-17-7-10-2-4-14(5-3-10)19(15,16)13-6-11-8-18-9-12-11/h8-10,13H,2-7H2,1H3.
What are the key properties of 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide?
4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 305.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 122561984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).