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

C13H20N4O4S — CID 97390330

IUPACN-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCCO1)CC2
InChIInChI=1S/C13H20N4O4S/c1-22(19,20)14-7-10-8-16-4-5-17(9-12(16)15-10)13(18)11-3-2-6-21-11/h8,11,14H,2-7,9H2,1H3/t11-/m0/s1
InChIKeyLXLSHZJSMYIBJS-NSHDSACASA-N
MW328.39 g/mol
LogP-0.55
Rot. Bonds4

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

N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 97390330) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID97390330
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCCO1)CC2
InChIInChI=1S/C13H20N4O4S/c1-22(19,20)14-7-10-8-16-4-5-17(9-12(16)15-10)13(18)11-3-2-6-21-11/h8,11,14H,2-7,9H2,1H3/t11-/m0/s1
InChIKeyLXLSHZJSMYIBJS-NSHDSACASA-N
XLogP-0.55
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 118740788
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 97467554
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
CID 110646755
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-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
CID 124810653
N-[(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467598
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
methyl 2-[6-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pyrazin-2-yl]sulfanylacetate
CID 96535594
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 97390330) is N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCCO1)CC2.
What is the InChIKey of N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is LXLSHZJSMYIBJS-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-22(19,20)14-7-10-8-16-4-5-17(9-12(16)15-10)13(18)11-3-2-6-21-11/h8,11,14H,2-7,9H2,1H3/t11-/m0/s1.
What are the key properties of N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(2S)-oxolane-2-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97390330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).