N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide

C14H22N4O4S — CID 124782387

IUPACN-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(C(=O)C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)16-8-13-10-17(9-12-2-5-15-18(12)13)14(19)11-3-6-22-7-4-11/h2,5,11,13,16H,3-4,6-10H2,1H3/t13-/m1/s1
InChIKeyGVEGZUUYEFMEFT-CYBMUJFWSA-N
MW342.42 g/mol
LogP-0.26
Rot. Bonds4

About N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide

N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (PubChem CID 124782387) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
PubChem CID124782387
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(C(=O)C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)16-8-13-10-17(9-12-2-5-15-18(12)13)14(19)11-3-6-22-7-4-11/h2,5,11,13,16H,3-4,6-10H2,1H3/t13-/m1/s1
InChIKeyGVEGZUUYEFMEFT-CYBMUJFWSA-N
XLogP-0.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (CID 124782387) is N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CN(C(=O)C2CCOCC2)Cc2ccnn21.
What is the InChIKey of N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The InChIKey is GVEGZUUYEFMEFT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-23(20,21)16-8-13-10-17(9-12-2-5-15-18(12)13)14(19)11-3-6-22-7-4-11/h2,5,11,13,16H,3-4,6-10H2,1H3/t13-/m1/s1.
What are the key properties of N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124782387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).