1-(quinolin-8-ylmethylsulfinyl)butan-2-amine

C14H18N2OS — CID 81193448

IUPAC1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)Cc1cccc2cccnc12
InChIInChI=1S/C14H18N2OS/c1-2-13(15)10-18(17)9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,13H,2,9-10,15H2,1H3
InChIKeyUPSRRFWDOSHGEU-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.22
Rot. Bonds5

About 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine

1-(quinolin-8-ylmethylsulfinyl)butan-2-amine (PubChem CID 81193448) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
PubChem CID81193448
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)Cc1cccc2cccnc12
InChIInChI=1S/C14H18N2OS/c1-2-13(15)10-18(17)9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,13H,2,9-10,15H2,1H3
InChIKeyUPSRRFWDOSHGEU-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

Analyze 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine
CID 81189280
2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine
CID 81189362
1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
CID 66227986
3-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 60983236
2-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 54883641
1-quinolin-8-ylpropan-2-amine
CID 63968867
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
8-(3-bromopentyl)quinoline
CID 81221481
ethyl 2-quinolin-8-ylacetate
CID 52562898
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
quinolin-8-ylmethanamine;hydrochloride
CID 50988699

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine?
The IUPAC name of 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine (CID 81193448) is 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine is CCC(N)CS(=O)Cc1cccc2cccnc12.
What is the InChIKey of 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine?
The InChIKey is UPSRRFWDOSHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-13(15)10-18(17)9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,13H,2,9-10,15H2,1H3.
What are the key properties of 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine?
1-(quinolin-8-ylmethylsulfinyl)butan-2-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 1-(quinolin-8-ylmethylsulfinyl)butan-2-amine is sourced from PubChem (CID 81193448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).