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

C14H20N4O2S2 — CID 124783643

IUPACN-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2cncn21
InChIInChI=1S/C14H20N4O2S2/c1-22(19,20)16-5-4-12-8-17(10-14-3-2-6-21-14)9-13-7-15-11-18(12)13/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3/t12-/m0/s1
InChIKeyRJYIQDNLXFVRRV-LBPRGKRZSA-N
MW340.47 g/mol
LogP1.44
Rot. Bonds6

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

N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide (PubChem CID 124783643) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
PubChem CID124783643
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2cncn21
InChIInChI=1S/C14H20N4O2S2/c1-22(19,20)16-5-4-12-8-17(10-14-3-2-6-21-14)9-13-7-15-11-18(12)13/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3/t12-/m0/s1
InChIKeyRJYIQDNLXFVRRV-LBPRGKRZSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(5S)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
CID 124912660
N-[2-[(7R)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895830
N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
CID 124779060
1-pyrrolidin-1-yl-2-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]ethanone
CID 131658018
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
N-[2-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131642351
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-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677673
N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677621
N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
CID 131677993
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide (CID 124783643) is N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2cncn21.
What is the InChIKey of N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
The InChIKey is RJYIQDNLXFVRRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-22(19,20)16-5-4-12-8-17(10-14-3-2-6-21-14)9-13-7-15-11-18(12)13/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide?
N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.44, 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-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124783643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).