N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

C15H23N3O3S2 — CID 42290723

IUPACN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccsc2)n1CCOC
InChIInChI=1S/C15H23N3O3S2/c1-4-23(19,20)15-16-9-14(18(15)6-7-21-3)11-17(2)10-13-5-8-22-12-13/h5,8-9,12H,4,6-7,10-11H2,1-3H3
InChIKeyFYZKIOPDYQTHTK-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.02
Rot. Bonds9

About N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 42290723) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID42290723
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccsc2)n1CCOC
InChIInChI=1S/C15H23N3O3S2/c1-4-23(19,20)15-16-9-14(18(15)6-7-21-3)11-17(2)10-13-5-8-22-12-13/h5,8-9,12H,4,6-7,10-11H2,1-3H3
InChIKeyFYZKIOPDYQTHTK-UHFFFAOYSA-N
XLogP2.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-quinolin-4-ylmethanamine
CID 42596202
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine
CID 42513639
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 42596519
N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 45245542
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 56707479
2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol
CID 42596697
N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 29149526
N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
CID 42510853
(1S)-N-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 42528647
3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 42196657
N-[[3-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42824239
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 42290723) is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is CCS(=O)(=O)c1ncc(CN(C)Cc2ccsc2)n1CCOC.
What is the InChIKey of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is FYZKIOPDYQTHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-4-23(19,20)15-16-9-14(18(15)6-7-21-3)11-17(2)10-13-5-8-22-12-13/h5,8-9,12H,4,6-7,10-11H2,1-3H3.
What are the key properties of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 357.50 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 42290723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).