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

C11H20N4O3S2 — CID 131940167

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)NCc2csc(N)n2)CC1
InChIInChI=1S/C11H20N4O3S2/c1-18-7-9-2-4-15(5-3-9)20(16,17)13-6-10-8-19-11(12)14-10/h8-9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyRQDMROVWNUQMNA-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.42
Rot. Bonds6

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide (PubChem CID 131940167) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
PubChem CID131940167
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)NCc2csc(N)n2)CC1
InChIInChI=1S/C11H20N4O3S2/c1-18-7-9-2-4-15(5-3-9)20(16,17)13-6-10-8-19-11(12)14-10/h8-9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyRQDMROVWNUQMNA-UHFFFAOYSA-N
XLogP0.42
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
CID 122561984
(2R)-N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 164637008
3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 131931237
4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484861
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methoxypiperidine-1-sulfonamide
CID 131943522
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 106587020
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106014232
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 62799943
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131924351
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide (CID 131940167) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide is COCC1CCN(S(=O)(=O)NCc2csc(N)n2)CC1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The InChIKey is RQDMROVWNUQMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-18-7-9-2-4-15(5-3-9)20(16,17)13-6-10-8-19-11(12)14-10/h8-9,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 131940167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).