N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide

C14H26N4O4S2 — CID 133137431

IUPACN-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)CCN1Cc2ccnn2C(CCNS(=O)(=O)CC)C1
InChIInChI=1S/C14H26N4O4S2/c1-3-23(19,20)10-9-17-11-13-5-7-15-18(13)14(12-17)6-8-16-24(21,22)4-2/h5,7,14,16H,3-4,6,8-12H2,1-2H3
InChIKeyIBNOKLQJSBFEED-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.00
Rot. Bonds9

About N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide

N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide (PubChem CID 133137431) has the molecular formula C14H26N4O4S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
PubChem CID133137431
Molecular FormulaC14H26N4O4S2
Molecular Weight378.52 g/mol
Exact Mass378.14
IUPAC NameN-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)CCN1Cc2ccnn2C(CCNS(=O)(=O)CC)C1
InChIInChI=1S/C14H26N4O4S2/c1-3-23(19,20)10-9-17-11-13-5-7-15-18(13)14(12-17)6-8-16-24(21,22)4-2/h5,7,14,16H,3-4,6,8-12H2,1-2H3
InChIKeyIBNOKLQJSBFEED-UHFFFAOYSA-N
XLogP0.00
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide (CID 133137431) is N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)CCN1Cc2ccnn2C(CCNS(=O)(=O)CC)C1.
What is the InChIKey of N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
The InChIKey is IBNOKLQJSBFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4S2/c1-3-23(19,20)10-9-17-11-13-5-7-15-18(13)14(12-17)6-8-16-24(21,22)4-2/h5,7,14,16H,3-4,6,8-12H2,1-2H3.
What are the key properties of N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 0.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 133137431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).