2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine

C11H18N4O3S — CID 161219128

IUPAC2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
SMILESCS(=O)(=O)n1cc2c(n1)CN(C1OCCCC1N)C2
InChIInChI=1S/C11H18N4O3S/c1-19(16,17)15-6-8-5-14(7-10(8)13-15)11-9(12)3-2-4-18-11/h6,9,11H,2-5,7,12H2,1H3
InChIKeyUXGOYTFXQHMRAI-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.53
Rot. Bonds2

About 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine

2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine (PubChem CID 161219128) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine.

Molecular Properties

Compound Name2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
PubChem CID161219128
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
SMILESCS(=O)(=O)n1cc2c(n1)CN(C1OCCCC1N)C2
InChIInChI=1S/C11H18N4O3S/c1-19(16,17)15-6-8-5-14(7-10(8)13-15)11-9(12)3-2-4-18-11/h6,9,11H,2-5,7,12H2,1H3
InChIKeyUXGOYTFXQHMRAI-UHFFFAOYSA-N
XLogP-0.53
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine?
The IUPAC name of 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine (CID 161219128) is 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine.
What is the SMILES notation for 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine?
The canonical SMILES for 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine is CS(=O)(=O)n1cc2c(n1)CN(C1OCCCC1N)C2.
What is the InChIKey of 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine?
The InChIKey is UXGOYTFXQHMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(16,17)15-6-8-5-14(7-10(8)13-15)11-9(12)3-2-4-18-11/h6,9,11H,2-5,7,12H2,1H3.
What are the key properties of 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine?
2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine has a molecular weight of 286.36 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine is sourced from PubChem (CID 161219128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).