1-(quinolin-2-ylmethylsulfonyl)propan-2-amine

C13H16N2O2S — CID 81189101

IUPAC1-(quinolin-2-ylmethylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O2S/c1-10(14)8-18(16,17)9-12-7-6-11-4-2-3-5-13(11)15-12/h2-7,10H,8-9,14H2,1H3
InChIKeyIWCIAVYNOPLGGU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.50
Rot. Bonds4

About 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine

1-(quinolin-2-ylmethylsulfonyl)propan-2-amine (PubChem CID 81189101) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-(quinolin-2-ylmethylsulfonyl)propan-2-amine
PubChem CID81189101
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(quinolin-2-ylmethylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O2S/c1-10(14)8-18(16,17)9-12-7-6-11-4-2-3-5-13(11)15-12/h2-7,10H,8-9,14H2,1H3
InChIKeyIWCIAVYNOPLGGU-UHFFFAOYSA-N
XLogP1.50
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylsulfonylmethyl)quinoline
CID 14901365
quinolin-2-ylmethanesulfonamide
CID 43164320
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
CID 71938888

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine?
The IUPAC name of 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine (CID 81189101) is 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine?
The canonical SMILES for 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine is CC(N)CS(=O)(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine?
The InChIKey is IWCIAVYNOPLGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(14)8-18(16,17)9-12-7-6-11-4-2-3-5-13(11)15-12/h2-7,10H,8-9,14H2,1H3.
What are the key properties of 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine?
1-(quinolin-2-ylmethylsulfonyl)propan-2-amine has a molecular weight of 264.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-2-ylmethylsulfonyl)propan-2-amine is sourced from PubChem (CID 81189101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).