3-(quinolin-6-ylmethylsulfinyl)butan-1-amine

C14H18N2OS — CID 81194035

IUPAC3-(quinolin-6-ylmethylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2OS/c1-11(6-7-15)18(17)10-12-4-5-14-13(9-12)3-2-8-16-14/h2-5,8-9,11H,6-7,10,15H2,1H3
InChIKeyOESIAEQTLREXLE-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.22
Rot. Bonds5

About 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine

3-(quinolin-6-ylmethylsulfinyl)butan-1-amine (PubChem CID 81194035) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name3-(quinolin-6-ylmethylsulfinyl)butan-1-amine
PubChem CID81194035
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(quinolin-6-ylmethylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2OS/c1-11(6-7-15)18(17)10-12-4-5-14-13(9-12)3-2-8-16-14/h2-5,8-9,11H,6-7,10,15H2,1H3
InChIKeyOESIAEQTLREXLE-UHFFFAOYSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 61369413
3-[(4-ethylphenyl)methylsulfinyl]butan-1-amine
CID 81194675
3-[(4-bromophenyl)methylsulfinyl]butan-1-amine
CID 81193519
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 62113305
2-phenyl-3-quinolin-6-ylpropan-1-amine
CID 81222399
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(4-methylpent-2-ynyl)quinoline
CID 144911863
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine?
The IUPAC name of 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine (CID 81194035) is 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine.
What is the SMILES notation for 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine?
The canonical SMILES for 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine is CC(CCN)S(=O)Cc1ccc2ncccc2c1.
What is the InChIKey of 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine?
The InChIKey is OESIAEQTLREXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(6-7-15)18(17)10-12-4-5-14-13(9-12)3-2-8-16-14/h2-5,8-9,11H,6-7,10,15H2,1H3.
What are the key properties of 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine?
3-(quinolin-6-ylmethylsulfinyl)butan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylmethylsulfinyl)butan-1-amine is sourced from PubChem (CID 81194035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).