5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine

C11H16N2S — CID 79941881

IUPAC5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
SMILESCC1CC(NCc2cccnc2)CS1
InChIInChI=1S/C11H16N2S/c1-9-5-11(8-14-9)13-7-10-3-2-4-12-6-10/h2-4,6,9,11,13H,5,7-8H2,1H3
InChIKeyKQNRXOCGBAPLHV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.07
Rot. Bonds3

About 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine

5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine (PubChem CID 79941881) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
PubChem CID79941881
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
SMILESCC1CC(NCc2cccnc2)CS1
InChIInChI=1S/C11H16N2S/c1-9-5-11(8-14-9)13-7-10-3-2-4-12-6-10/h2-4,6,9,11,13H,5,7-8H2,1H3
InChIKeyKQNRXOCGBAPLHV-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
CID 79950424
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
5,5-dimethyl-N-(pyridin-3-ylmethyl)thian-3-amine
CID 79955058
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 43634519
methyl 3-[[(5-methylthiolan-3-yl)amino]methyl]benzoate
CID 166237307
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine (CID 79941881) is 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine is CC1CC(NCc2cccnc2)CS1.
What is the InChIKey of 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
The InChIKey is KQNRXOCGBAPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-5-11(8-14-9)13-7-10-3-2-4-12-6-10/h2-4,6,9,11,13H,5,7-8H2,1H3.
What are the key properties of 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine has a molecular weight of 208.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 79941881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).