(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine

C11H15N3O2S — CID 10220646

IUPAC(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine
SMILESC[C@H](N)Cn1ncc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C11H15N3O2S/c1-8(12)7-14-11-5-10(17(2,15)16)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1
InChIKeyPOQSJAURDIYJHY-QMMMGPOBSA-N
MW253.33 g/mol
LogP0.79
Rot. Bonds3

About (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine

(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine (PubChem CID 10220646) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine
PubChem CID10220646
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine
SMILESC[C@H](N)Cn1ncc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C11H15N3O2S/c1-8(12)7-14-11-5-10(17(2,15)16)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1
InChIKeyPOQSJAURDIYJHY-QMMMGPOBSA-N
XLogP0.79
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine (CID 10220646) is (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine is C[C@H](N)Cn1ncc2ccc(S(C)(=O)=O)cc21.
What is the InChIKey of (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine?
The InChIKey is POQSJAURDIYJHY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(12)7-14-11-5-10(17(2,15)16)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine?
(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine has a molecular weight of 253.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine is sourced from PubChem (CID 10220646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).