(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide

C11H20N4O3S — CID 97474679

IUPAC(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
SMILESCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1
InChIInChI=1S/C11H20N4O3S/c1-13(2)19(16,17)15-6-10(8-18-3)5-14-9-12-4-11(14)7-15/h4,9-10H,5-8H2,1-3H3/t10-/m0/s1
InChIKeyMIMXXHXCWMYSQW-JTQLQIEISA-N
MW288.37 g/mol
LogP-0.23
Rot. Bonds4

About (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide

(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide (PubChem CID 97474679) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide.

Molecular Properties

Compound Name(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
PubChem CID97474679
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
SMILESCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1
InChIInChI=1S/C11H20N4O3S/c1-13(2)19(16,17)15-6-10(8-18-3)5-14-9-12-4-11(14)7-15/h4,9-10H,5-8H2,1-3H3/t10-/m0/s1
InChIKeyMIMXXHXCWMYSQW-JTQLQIEISA-N
XLogP-0.23
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97390179
N-ethyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 118739065
8-(2-methyl-2-morpholin-4-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56914194
N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
CID 97390182
1-[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-3-methoxypropan-1-one
CID 97466965
N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 131654045
N-methyl-N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine
CID 131658058
N-ethyl-N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 131658567
6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
CID 134690199
8-Methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 12250975
8-Propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 121367713
6,8-Dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 123219303

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The IUPAC name of (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide (CID 97474679) is (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide.
What is the SMILES notation for (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The canonical SMILES for (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide is COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1.
What is the InChIKey of (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The InChIKey is MIMXXHXCWMYSQW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-13(2)19(16,17)15-6-10(8-18-3)5-14-9-12-4-11(14)7-15/h4,9-10H,5-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide is sourced from PubChem (CID 97474679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).