N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

C14H22N4O4S — CID 118740788

IUPACN-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn2c1CN(C(=O)C1CCCO1)CCC2
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)16-8-11-12-9-17(5-3-6-18(12)10-15-11)14(19)13-4-2-7-22-13/h10,13,16H,2-9H2,1H3
InChIKeyVVWLXOQAGAQEOC-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.16
Rot. Bonds4

About N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (PubChem CID 118740788) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
PubChem CID118740788
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn2c1CN(C(=O)C1CCCO1)CCC2
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)16-8-11-12-9-17(5-3-6-18(12)10-15-11)14(19)13-4-2-7-22-13/h10,13,16H,2-9H2,1H3
InChIKeyVVWLXOQAGAQEOC-UHFFFAOYSA-N
XLogP-0.16
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 97390330
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
CID 91917560
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
N-[(1-methylimidazol-2-yl)methyl]-4-[(2R)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126440224
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(oxolane-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 121497979
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[(2S)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126429348
[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95311750
2-(3,4-dimethylphenoxy)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546629

Frequently Asked Questions

What is the IUPAC name of N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (CID 118740788) is N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ncn2c1CN(C(=O)C1CCCO1)CCC2.
What is the InChIKey of N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The InChIKey is VVWLXOQAGAQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-23(20,21)16-8-11-12-9-17(5-3-6-18(12)10-15-11)14(19)13-4-2-7-22-13/h10,13,16H,2-9H2,1H3.
What are the key properties of N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 118740788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).