N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide

C11H20N2O3S2 — CID 71981126

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C11H20N2O3S2/c1-5-6-18(14,15)13(3)7-10-8-17-11(12-10)9(2)16-4/h8-9H,5-7H2,1-4H3
InChIKeyYBCJXZWGTRFJOY-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.02
Rot. Bonds7

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

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide (PubChem CID 71981126) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
PubChem CID71981126
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C11H20N2O3S2/c1-5-6-18(14,15)13(3)7-10-8-17-11(12-10)9(2)16-4/h8-9H,5-7H2,1-4H3
InChIKeyYBCJXZWGTRFJOY-UHFFFAOYSA-N
XLogP2.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
3-(2-ethylsulfonylethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109454597
trans-(1S,2S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124777375
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-propylguanidine
CID 109456260
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
CID 75442605
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
CID 133337743
2-[2-(diethylamino)propyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 109457195
6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
CID 133337737
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
3-(2-ethylbutyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109456366

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide (CID 71981126) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1csc(C(C)OC)n1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is YBCJXZWGTRFJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-5-6-18(14,15)13(3)7-10-8-17-11(12-10)9(2)16-4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 71981126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).