N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide

C15H22N4O2S2 — CID 124912660

IUPACN-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
SMILESCc1ccsc1CN1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1
InChIInChI=1S/C15H22N4O2S2/c1-12-4-6-22-15(12)10-18-8-13(3-5-17-23(2,20)21)19-11-16-7-14(19)9-18/h4,6-7,11,13,17H,3,5,8-10H2,1-2H3/t13-/m0/s1
InChIKeyWBQOMQNJFOHCER-ZDUSSCGKSA-N
MW354.50 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide

N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide (PubChem CID 124912660) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
PubChem CID124912660
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
SMILESCc1ccsc1CN1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1
InChIInChI=1S/C15H22N4O2S2/c1-12-4-6-22-15(12)10-18-8-13(3-5-17-23(2,20)21)19-11-16-7-14(19)9-18/h4,6-7,11,13,17H,3,5,8-10H2,1-2H3/t13-/m0/s1
InChIKeyWBQOMQNJFOHCER-ZDUSSCGKSA-N
XLogP1.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
CID 124783643
N-[[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131649607
N-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697
5-[[5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 131646474
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837781
N-[[(5S)-7-[2-(2-methylphenoxy)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124806194
N-[2-[5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863842
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124784097
2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124802447
2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
CID 124912486
1-methylsulfonyl-4-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidine
CID 91921438

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide (CID 124912660) is N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide is Cc1ccsc1CN1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
The InChIKey is WBQOMQNJFOHCER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-12-4-6-22-15(12)10-18-8-13(3-5-17-23(2,20)21)19-11-16-7-14(19)9-18/h4,6-7,11,13,17H,3,5,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124912660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).