(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C15H19N3O3S — CID 97462213

IUPAC(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCOC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1
InChIInChI=1S/C15H19N3O3S/c1-21-12-13-9-17-8-7-16-15(17)11-18(10-13)22(19,20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/t13-/m1/s1
InChIKeySTGBWJGOWVJWNN-CYBMUJFWSA-N
MW321.40 g/mol
LogP1.35
Rot. Bonds4

About (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 97462213) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID97462213
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCOC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1
InChIInChI=1S/C15H19N3O3S/c1-21-12-13-9-17-8-7-16-15(17)11-18(10-13)22(19,20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/t13-/m1/s1
InChIKeySTGBWJGOWVJWNN-CYBMUJFWSA-N
XLogP1.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462215
8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131654793
(6R)-6-(ethoxymethyl)-8-(3-methylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462257
5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 134076147
8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 134069034
(6S)-6-(methoxymethyl)-8-(pyridin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381728
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
(6S)-6-(methoxymethyl)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381732
6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208
8-cyclopropylsulfonyl-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131660169
[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone
CID 118745043
(6R)-6-(methoxymethyl)-8-thiophen-2-ylsulfonyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine
CID 97463601

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 97462213) is (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is COC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1.
What is the InChIKey of (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is STGBWJGOWVJWNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-21-12-13-9-17-8-7-16-15(17)11-18(10-13)22(19,20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/t13-/m1/s1.
What are the key properties of (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 321.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 97462213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).