N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine

C17H31N3O4S — CID 42513639

IUPACN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1CCOC
InChIInChI=1S/C17H31N3O4S/c1-4-25(21,22)17-18-13-16(20(17)9-12-23-3)14-19(2)8-5-15-6-10-24-11-7-15/h13,15H,4-12,14H2,1-3H3
InChIKeyCZFZDWOWVVTTML-UHFFFAOYSA-N
MW373.52 g/mol
LogP1.57
Rot. Bonds10

About N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine

N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 42513639) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID42513639
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1CCOC
InChIInChI=1S/C17H31N3O4S/c1-4-25(21,22)17-18-13-16(20(17)9-12-23-3)14-19(2)8-5-15-6-10-24-11-7-15/h13,15H,4-12,14H2,1-3H3
InChIKeyCZFZDWOWVVTTML-UHFFFAOYSA-N
XLogP1.57
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine (CID 42513639) is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine is CCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1CCOC.
What is the InChIKey of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is CZFZDWOWVVTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-4-25(21,22)17-18-13-16(20(17)9-12-23-3)14-19(2)8-5-15-6-10-24-11-7-15/h13,15H,4-12,14H2,1-3H3.
What are the key properties of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 373.52 g/mol, XLogP of 1.57, 10 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-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 42513639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).