N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane

C11H22N4O2S — CID 91415824

IUPACN-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane
SMILESCC.CN1Cc2nn(C)c(N(C)S(C)(=O)=O)c2C1
InChIInChI=1S/C9H16N4O2S.C2H6/c1-11-5-7-8(6-11)10-12(2)9(7)13(3)16(4,14)15;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyBRBTVHQNTPLSJZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.79
Rot. Bonds2

About N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane

N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane (PubChem CID 91415824) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane.

Molecular Properties

Compound NameN-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane
PubChem CID91415824
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane
SMILESCC.CN1Cc2nn(C)c(N(C)S(C)(=O)=O)c2C1
InChIInChI=1S/C9H16N4O2S.C2H6/c1-11-5-7-8(6-11)10-12(2)9(7)13(3)16(4,14)15;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyBRBTVHQNTPLSJZ-UHFFFAOYSA-N
XLogP0.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane?
The IUPAC name of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane (CID 91415824) is N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane.
What is the SMILES notation for N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane?
The canonical SMILES for N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane is CC.CN1Cc2nn(C)c(N(C)S(C)(=O)=O)c2C1.
What is the InChIKey of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane?
The InChIKey is BRBTVHQNTPLSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S.C2H6/c1-11-5-7-8(6-11)10-12(2)9(7)13(3)16(4,14)15;1-2/h5-6H2,1-4H3;1-2H3.
What are the key properties of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane?
N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane has a molecular weight of 274.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide;ethane is sourced from PubChem (CID 91415824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).