1-(2-tert-butylsulfonylethyl)indazol-3-amine

C13H19N3O2S — CID 106729521

IUPAC1-(2-tert-butylsulfonylethyl)indazol-3-amine
SMILESCC(C)(C)S(=O)(=O)CCn1nc(N)c2ccccc21
InChIInChI=1S/C13H19N3O2S/c1-13(2,3)19(17,18)9-8-16-11-7-5-4-6-10(11)12(14)15-16/h4-7H,8-9H2,1-3H3,(H2,14,15)
InChIKeyKYIKXRGGEIMSGS-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)indazol-3-amine

1-(2-tert-butylsulfonylethyl)indazol-3-amine (PubChem CID 106729521) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)indazol-3-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)indazol-3-amine
PubChem CID106729521
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(2-tert-butylsulfonylethyl)indazol-3-amine
SMILESCC(C)(C)S(=O)(=O)CCn1nc(N)c2ccccc21
InChIInChI=1S/C13H19N3O2S/c1-13(2,3)19(17,18)9-8-16-11-7-5-4-6-10(11)12(14)15-16/h4-7H,8-9H2,1-3H3,(H2,14,15)
InChIKeyKYIKXRGGEIMSGS-UHFFFAOYSA-N
XLogP1.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)indazol-3-amine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)indazol-3-amine (CID 106729521) is 1-(2-tert-butylsulfonylethyl)indazol-3-amine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)indazol-3-amine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)indazol-3-amine is CC(C)(C)S(=O)(=O)CCn1nc(N)c2ccccc21.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)indazol-3-amine?
The InChIKey is KYIKXRGGEIMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-13(2,3)19(17,18)9-8-16-11-7-5-4-6-10(11)12(14)15-16/h4-7H,8-9H2,1-3H3,(H2,14,15).
What are the key properties of 1-(2-tert-butylsulfonylethyl)indazol-3-amine?
1-(2-tert-butylsulfonylethyl)indazol-3-amine has a molecular weight of 281.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)indazol-3-amine is sourced from PubChem (CID 106729521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).