1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine

C18H26N4O2S — CID 18447078

IUPAC1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine
SMILESCCCN1C2CCC1CC(Nc1ccc3c(cnn3S(C)(=O)=O)c1)C2
InChIInChI=1S/C18H26N4O2S/c1-3-8-21-16-5-6-17(21)11-15(10-16)20-14-4-7-18-13(9-14)12-19-22(18)25(2,23)24/h4,7,9,12,15-17,20H,3,5-6,8,10-11H2,1-2H3
InChIKeyXDZUQWTVZIKMMA-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.66
Rot. Bonds5

About 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine

1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine (PubChem CID 18447078) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine
PubChem CID18447078
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine
SMILESCCCN1C2CCC1CC(Nc1ccc3c(cnn3S(C)(=O)=O)c1)C2
InChIInChI=1S/C18H26N4O2S/c1-3-8-21-16-5-6-17(21)11-15(10-16)20-14-4-7-18-13(9-14)12-19-22(18)25(2,23)24/h4,7,9,12,15-17,20H,3,5-6,8,10-11H2,1-2H3
InChIKeyXDZUQWTVZIKMMA-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine?
The IUPAC name of 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine (CID 18447078) is 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine?
The canonical SMILES for 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine is CCCN1C2CCC1CC(Nc1ccc3c(cnn3S(C)(=O)=O)c1)C2.
What is the InChIKey of 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine?
The InChIKey is XDZUQWTVZIKMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-8-21-16-5-6-17(21)11-15(10-16)20-14-4-7-18-13(9-14)12-19-22(18)25(2,23)24/h4,7,9,12,15-17,20H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine?
1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine has a molecular weight of 362.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(8-propyl-8-azabicyclo[3.2.1]octan-3-yl)indazol-5-amine is sourced from PubChem (CID 18447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).