3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine

C16H22N2O2S — CID 81426941

IUPAC3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
SMILESCCS(=O)(=O)CCCNCCc1cccc2cccnc12
InChIInChI=1S/C16H22N2O2S/c1-2-21(19,20)13-5-10-17-12-9-15-7-3-6-14-8-4-11-18-16(14)15/h3-4,6-8,11,17H,2,5,9-10,12-13H2,1H3
InChIKeyGMLMWAMZWMNXIL-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.19
Rot. Bonds8

About 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine

3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine (PubChem CID 81426941) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
PubChem CID81426941
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
SMILESCCS(=O)(=O)CCCNCCc1cccc2cccnc12
InChIInChI=1S/C16H22N2O2S/c1-2-21(19,20)13-5-10-17-12-9-15-7-3-6-14-8-4-11-18-16(14)15/h3-4,6-8,11,17H,2,5,9-10,12-13H2,1H3
InChIKeyGMLMWAMZWMNXIL-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
CID 103258780
2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 106072915
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
N-ethyl-N-methyl-2-(2-quinolin-8-ylethylamino)acetamide
CID 81427020
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine (CID 81426941) is 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine is CCS(=O)(=O)CCCNCCc1cccc2cccnc12.
What is the InChIKey of 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine?
The InChIKey is GMLMWAMZWMNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-21(19,20)13-5-10-17-12-9-15-7-3-6-14-8-4-11-18-16(14)15/h3-4,6-8,11,17H,2,5,9-10,12-13H2,1H3.
What are the key properties of 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine?
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine is sourced from PubChem (CID 81426941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).