5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

C11H19N3O3S2 — CID 106587611

IUPAC5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCOCC1CCCN(S(=O)(=O)c2sc(N)nc2C)C1
InChIInChI=1S/C11H19N3O3S2/c1-8-10(18-11(12)13-8)19(15,16)14-5-3-4-9(6-14)7-17-2/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyHBUISWXSZFRDAB-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.08
Rot. Bonds4

About 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 106587611) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
PubChem CID106587611
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCOCC1CCCN(S(=O)(=O)c2sc(N)nc2C)C1
InChIInChI=1S/C11H19N3O3S2/c1-8-10(18-11(12)13-8)19(15,16)14-5-3-4-9(6-14)7-17-2/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyHBUISWXSZFRDAB-UHFFFAOYSA-N
XLogP1.08
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 63945987
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 63945623
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 107393489
4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine
CID 63946602
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-3-nitrothiophen-2-amine
CID 106588730
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol
CID 107405200

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (CID 106587611) is 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is COCC1CCCN(S(=O)(=O)c2sc(N)nc2C)C1.
What is the InChIKey of 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HBUISWXSZFRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-8-10(18-11(12)13-8)19(15,16)14-5-3-4-9(6-14)7-17-2/h9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 305.43 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 106587611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).