N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C15H23F3N4O4S — CID 155844018

IUPACN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O2S.C2HF3O2/c1-20(18,19)15-7-12-13-9-16(8-11-3-4-11)5-2-6-17(13)10-14-12;3-2(4,5)1(6)7/h10-11,15H,2-9H2,1H3;(H,6,7)
InChIKeyMYYDRNUTLFOSBA-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.18
Rot. Bonds5

About N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155844018) has the molecular formula C15H23F3N4O4S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155844018
Molecular FormulaC15H23F3N4O4S
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC NameN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O2S.C2HF3O2/c1-20(18,19)15-7-12-13-9-16(8-11-3-4-11)5-2-6-17(13)10-14-12;3-2(4,5)1(6)7/h10-11,15H,2-9H2,1H3;(H,6,7)
InChIKeyMYYDRNUTLFOSBA-UHFFFAOYSA-N
XLogP1.18
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[8-(3-methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 97405499
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155832824
N,N-dimethyl-1-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155842484
N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 97405489

Frequently Asked Questions

What is the IUPAC name of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155844018) is N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is MYYDRNUTLFOSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.C2HF3O2/c1-20(18,19)15-7-12-13-9-16(8-11-3-4-11)5-2-6-17(13)10-14-12;3-2(4,5)1(6)7/h10-11,15H,2-9H2,1H3;(H,6,7).
What are the key properties of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 412.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).