1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine

C14H18N2OS — CID 81189782

IUPAC1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine
SMILESCc1cc(CS(=O)CC(C)N)c2ccccc2n1
InChIInChI=1S/C14H18N2OS/c1-10(15)8-18(17)9-12-7-11(2)16-14-6-4-3-5-13(12)14/h3-7,10H,8-9,15H2,1-2H3
InChIKeyUASALBPOVXRZLL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.14
Rot. Bonds4

About 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine

1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine (PubChem CID 81189782) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine
PubChem CID81189782
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine
SMILESCc1cc(CS(=O)CC(C)N)c2ccccc2n1
InChIInChI=1S/C14H18N2OS/c1-10(15)8-18(17)9-12-7-11(2)16-14-6-4-3-5-13(12)14/h3-7,10H,8-9,15H2,1-2H3
InChIKeyUASALBPOVXRZLL-UHFFFAOYSA-N
XLogP2.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-(quinolin-4-ylmethylsulfinyl)butan-2-amine
CID 81194007
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764108
2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline
CID 97000353
(2-methylquinolin-4-yl)methanethiol
CID 79885955
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-methyl-3-(quinolin-4-ylmethylsulfinyl)propanoic acid
CID 79240694
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 106488509
4-hexyl-2-methylquinoline
CID 12861362

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine (CID 81189782) is 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine is Cc1cc(CS(=O)CC(C)N)c2ccccc2n1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine?
The InChIKey is UASALBPOVXRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(15)8-18(17)9-12-7-11(2)16-14-6-4-3-5-13(12)14/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine?
1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 81189782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).