(2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine

C17H29N3O4S — CID 25286851

IUPAC(2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C17H29N3O4S/c1-13-9-19(10-14(2)24-13)11-16-8-18-17(20(16)6-7-23-3)25(21,22)12-15-4-5-15/h8,13-15H,4-7,9-12H2,1-3H3/t13-,14+
InChIKeyGLXICLQTPOXRSS-OKILXGFUSA-N
MW371.50 g/mol
LogP1.32
Rot. Bonds8

About (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 25286851) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID25286851
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name(2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C17H29N3O4S/c1-13-9-19(10-14(2)24-13)11-16-8-18-17(20(16)6-7-23-3)25(21,22)12-15-4-5-15/h8,13-15H,4-7,9-12H2,1-3H3/t13-,14+
InChIKeyGLXICLQTPOXRSS-OKILXGFUSA-N
XLogP1.32
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine with MolForge

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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 (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 25286851) is (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine is COCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(=O)(=O)CC1CC1.
What is the InChIKey of (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is GLXICLQTPOXRSS-OKILXGFUSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-13-9-19(10-14(2)24-13)11-16-8-18-17(20(16)6-7-23-3)25(21,22)12-15-4-5-15/h8,13-15H,4-7,9-12H2,1-3H3/t13-,14+.
What are the key properties of (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 371.50 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 25286851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).