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

C12H21N3O3S2 — CID 131924351

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCCc1csc(CNS(=O)(=O)N2CCCC2COC)n1
InChIInChI=1S/C12H21N3O3S2/c1-3-10-9-19-12(14-10)7-13-20(16,17)15-6-4-5-11(15)8-18-2/h9,11,13H,3-8H2,1-2H3
InChIKeyVVHHQWMMWKFKDH-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.15
Rot. Bonds7

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 131924351) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
PubChem CID131924351
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCCc1csc(CNS(=O)(=O)N2CCCC2COC)n1
InChIInChI=1S/C12H21N3O3S2/c1-3-10-9-19-12(14-10)7-13-20(16,17)15-6-4-5-11(15)8-18-2/h9,11,13H,3-8H2,1-2H3
InChIKeyVVHHQWMMWKFKDH-UHFFFAOYSA-N
XLogP1.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

(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]-4-methoxypiperidine-1-sulfonamide
CID 131943522
2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 131907581
N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131895648
3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 131931237
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131912505
2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 131942103
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
CID 68551134
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106589398
(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 126742603
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131940167
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]cyclopentanesulfonamide
CID 110357349

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide (CID 131924351) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide is CCc1csc(CNS(=O)(=O)N2CCCC2COC)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is VVHHQWMMWKFKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-3-10-9-19-12(14-10)7-13-20(16,17)15-6-4-5-11(15)8-18-2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131924351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).