4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine

C13H22N4O2S — CID 105359185

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCC3CCCCC32)c(N)nn1C
InChIInChI=1S/C13H22N4O2S/c1-9-12(13(14)15-16(9)2)20(18,19)17-8-7-10-5-3-4-6-11(10)17/h10-11H,3-8H2,1-2H3,(H2,14,15)
InChIKeyIIZLWLDOKDPUES-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.26
Rot. Bonds2

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine (PubChem CID 105359185) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
PubChem CID105359185
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCC3CCCCC32)c(N)nn1C
InChIInChI=1S/C13H22N4O2S/c1-9-12(13(14)15-16(9)2)20(18,19)17-8-7-10-5-3-4-6-11(10)17/h10-11H,3-8H2,1-2H3,(H2,14,15)
InChIKeyIIZLWLDOKDPUES-UHFFFAOYSA-N
XLogP1.26
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine with MolForge

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Related Compounds

[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-dimethylaniline
CID 82751740
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-methylaniline
CID 82746459
4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105359252
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-difluoroaniline
CID 82751721
4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105358968
2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 105359381
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 106468138
1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 105357945
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
CID 105359060
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-methylaniline
CID 82747391

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine (CID 105359185) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCC3CCCCC32)c(N)nn1C.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine?
The InChIKey is IIZLWLDOKDPUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-12(13(14)15-16(9)2)20(18,19)17-8-7-10-5-3-4-6-11(10)17/h10-11H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine has a molecular weight of 298.41 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 105359185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).