1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine

C16H29N3O4S — CID 45217124

IUPAC1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
SMILESCCS(=O)(=O)c1ncc(CN2CCCC(COC)C2)n1CCOC
InChIInChI=1S/C16H29N3O4S/c1-4-24(20,21)16-17-10-15(19(16)8-9-22-2)12-18-7-5-6-14(11-18)13-23-3/h10,14H,4-9,11-13H2,1-3H3
InChIKeyKCDVVCXGDAOLRD-UHFFFAOYSA-N
MW359.49 g/mol
LogP1.18
Rot. Bonds9

About 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine

1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine (PubChem CID 45217124) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
PubChem CID45217124
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC Name1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
SMILESCCS(=O)(=O)c1ncc(CN2CCCC(COC)C2)n1CCOC
InChIInChI=1S/C16H29N3O4S/c1-4-24(20,21)16-17-10-15(19(16)8-9-22-2)12-18-7-5-6-14(11-18)13-23-3/h10,14H,4-9,11-13H2,1-3H3
InChIKeyKCDVVCXGDAOLRD-UHFFFAOYSA-N
XLogP1.18
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine (CID 45217124) is 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine is CCS(=O)(=O)c1ncc(CN2CCCC(COC)C2)n1CCOC.
What is the InChIKey of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine?
The InChIKey is KCDVVCXGDAOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-4-24(20,21)16-17-10-15(19(16)8-9-22-2)12-18-7-5-6-14(11-18)13-23-3/h10,14H,4-9,11-13H2,1-3H3.
What are the key properties of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine?
1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine has a molecular weight of 359.49 g/mol, XLogP of 1.18, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 45217124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).