N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine

C15H20N2O2S — CID 63232227

IUPACN-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2ccc(S(C)(=O)=O)cc2cc1C(C)C
InChIInChI=1S/C15H20N2O2S/c1-5-16-15-13(10(2)3)9-11-8-12(20(4,18)19)6-7-14(11)17-15/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyKJHUGWCMKZKJLJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.19
Rot. Bonds4

About N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine

N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63232227) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine
PubChem CID63232227
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2ccc(S(C)(=O)=O)cc2cc1C(C)C
InChIInChI=1S/C15H20N2O2S/c1-5-16-15-13(10(2)3)9-11-8-12(20(4,18)19)6-7-14(11)17-15/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyKJHUGWCMKZKJLJ-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine (CID 63232227) is N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine is CCNc1nc2ccc(S(C)(=O)=O)cc2cc1C(C)C.
What is the InChIKey of N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is KJHUGWCMKZKJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-16-15-13(10(2)3)9-11-8-12(20(4,18)19)6-7-14(11)17-15/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine?
N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63232227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).