3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

C16H20N2S — CID 103701386

IUPAC3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2cccc3cccnc23)C1
InChIInChI=1S/C16H20N2S/c1-19-15-8-7-14(10-15)18-11-13-5-2-4-12-6-3-9-17-16(12)13/h2-6,9,14-15,18H,7-8,10-11H2,1H3
InChIKeyRFFIFJNNWUKBHM-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.61
Rot. Bonds4

About 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine (PubChem CID 103701386) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
PubChem CID103701386
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2cccc3cccnc23)C1
InChIInChI=1S/C16H20N2S/c1-19-15-8-7-14(10-15)18-11-13-5-2-4-12-6-3-9-17-16(12)13/h2-6,9,14-15,18H,7-8,10-11H2,1H3
InChIKeyRFFIFJNNWUKBHM-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
CID 103701472
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728504
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine (CID 103701386) is 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine is CSC1CCC(NCc2cccc3cccnc23)C1.
What is the InChIKey of 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The InChIKey is RFFIFJNNWUKBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-19-15-8-7-14(10-15)18-11-13-5-2-4-12-6-3-9-17-16(12)13/h2-6,9,14-15,18H,7-8,10-11H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 103701386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).