N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

C14H24N4O3S — CID 97405499

IUPACN-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCC(C)CC(=O)N1CCCn2cnc(CNS(C)(=O)=O)c2C1
InChIInChI=1S/C14H24N4O3S/c1-11(2)7-14(19)17-5-4-6-18-10-15-12(13(18)9-17)8-16-22(3,20)21/h10-11,16H,4-9H2,1-3H3
InChIKeyIVQXHMFNDBAQIY-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.71
Rot. Bonds5

About N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (PubChem CID 97405499) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
PubChem CID97405499
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCC(C)CC(=O)N1CCCn2cnc(CNS(C)(=O)=O)c2C1
InChIInChI=1S/C14H24N4O3S/c1-11(2)7-14(19)17-5-4-6-18-10-15-12(13(18)9-17)8-16-22(3,20)21/h10-11,16H,4-9H2,1-3H3
InChIKeyIVQXHMFNDBAQIY-UHFFFAOYSA-N
XLogP0.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (CID 97405499) is N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is CC(C)CC(=O)N1CCCn2cnc(CNS(C)(=O)=O)c2C1.
What is the InChIKey of N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The InChIKey is IVQXHMFNDBAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11(2)7-14(19)17-5-4-6-18-10-15-12(13(18)9-17)8-16-22(3,20)21/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97405499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).