(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide

C14H26N4O3S — CID 97477864

IUPAC(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
SMILESCC(C)COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1
InChIInChI=1S/C14H26N4O3S/c1-12(2)9-21-10-13-6-17-11-15-5-14(17)8-18(7-13)22(19,20)16(3)4/h5,11-13H,6-10H2,1-4H3/t13-/m0/s1
InChIKeyZKSTVIFDIZUTNP-ZDUSSCGKSA-N
MW330.45 g/mol
LogP0.79
Rot. Bonds6

About (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide

(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide (PubChem CID 97477864) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide.

Molecular Properties

Compound Name(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
PubChem CID97477864
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
SMILESCC(C)COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1
InChIInChI=1S/C14H26N4O3S/c1-12(2)9-21-10-13-6-17-11-15-5-14(17)8-18(7-13)22(19,20)16(3)4/h5,11-13H,6-10H2,1-4H3/t13-/m0/s1
InChIKeyZKSTVIFDIZUTNP-ZDUSSCGKSA-N
XLogP0.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-thiophen-2-ylethanone
CID 133139829
2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97487224
7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131663594
1-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 97474682
(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide
CID 124804446
1-[6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 133141687
(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
CID 97368213
(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 124805248
2-[(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131648100
(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
CID 97468480
1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131663263
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733

Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The IUPAC name of (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide (CID 97477864) is (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide.
What is the SMILES notation for (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The canonical SMILES for (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide is CC(C)COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1.
What is the InChIKey of (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
The InChIKey is ZKSTVIFDIZUTNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-12(2)9-21-10-13-6-17-11-15-5-14(17)8-18(7-13)22(19,20)16(3)4/h5,11-13H,6-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide?
(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide is sourced from PubChem (CID 97477864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).