2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide

C15H21N3O2S — CID 106072915

IUPAC2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H21N3O2S/c1-2-8-16-10-11-21(19,20)18-12-14-6-3-5-13-7-4-9-17-15(13)14/h3-7,9,16,18H,2,8,10-12H2,1H3
InChIKeyWRUAPJZERXIPNJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.65
Rot. Bonds8

About 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide

2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide (PubChem CID 106072915) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
PubChem CID106072915
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H21N3O2S/c1-2-8-16-10-11-21(19,20)18-12-14-6-3-5-13-7-4-9-17-15(13)14/h3-7,9,16,18H,2,8,10-12H2,1H3
InChIKeyWRUAPJZERXIPNJ-UHFFFAOYSA-N
XLogP1.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
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)ethanesulfonamide
CID 47470366
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
2-(quinolin-8-ylmethylsulfamoyl)ethanethioamide
CID 81426311
N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102693228
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
CID 78996081
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide (CID 106072915) is 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide is CCCNCCS(=O)(=O)NCc1cccc2cccnc12.
What is the InChIKey of 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide?
The InChIKey is WRUAPJZERXIPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-8-16-10-11-21(19,20)18-12-14-6-3-5-13-7-4-9-17-15(13)14/h3-7,9,16,18H,2,8,10-12H2,1H3.
What are the key properties of 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide?
2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 106072915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).