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

C15H26N4O3S — CID 134690199

IUPAC6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cncn2CC(COCC2CCC2)C1
InChIInChI=1S/C15H26N4O3S/c1-17(2)23(20,21)19-8-14(11-22-10-13-4-3-5-13)7-18-12-16-6-15(18)9-19/h6,12-14H,3-5,7-11H2,1-2H3
InChIKeyXAXQMRZZJBIXDX-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.94
Rot. Bonds6

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

6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide (PubChem CID 134690199) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide.

Molecular Properties

Compound Name6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
PubChem CID134690199
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cncn2CC(COCC2CCC2)C1
InChIInChI=1S/C15H26N4O3S/c1-17(2)23(20,21)19-8-14(11-22-10-13-4-3-5-13)7-18-12-16-6-15(18)9-19/h6,12-14H,3-5,7-11H2,1-2H3
InChIKeyXAXQMRZZJBIXDX-UHFFFAOYSA-N
XLogP0.94
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[6-(Cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]propan-1-one
CID 131658467
N-ethyl-N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 131658567
1-[6-(Cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 133141687
N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
CID 97466962
N,N-dimethyl-1-[7-[[(3R)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
CID 97466963
N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 97466980
N-ethyl-N-[[7-[[(3R)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 97466981
N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467173
N-[[7-[[(3R)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467174
(6S)-6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
CID 97474679

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The IUPAC name of 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide (CID 134690199) is 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide.
What is the SMILES notation for 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The canonical SMILES for 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide is CN(C)S(=O)(=O)N1Cc2cncn2CC(COCC2CCC2)C1.
What is the InChIKey of 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The InChIKey is XAXQMRZZJBIXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-17(2)23(20,21)19-8-14(11-22-10-13-4-3-5-13)7-18-12-16-6-15(18)9-19/h6,12-14H,3-5,7-11H2,1-2H3.
What are the key properties of 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide is sourced from PubChem (CID 134690199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).