N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine

C13H20N2S — CID 80627741

IUPACN-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)C1CCCS1
InChIInChI=1S/C13H20N2S/c1-3-15-13(12-5-4-8-16-12)11-9-14-7-6-10(11)2/h6-7,9,12-13,15H,3-5,8H2,1-2H3
InChIKeyHGPOSBRPOGOFBW-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine

N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine (PubChem CID 80627741) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
PubChem CID80627741
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)C1CCCS1
InChIInChI=1S/C13H20N2S/c1-3-15-13(12-5-4-8-16-12)11-9-14-7-6-10(11)2/h6-7,9,12-13,15H,3-5,8H2,1-2H3
InChIKeyHGPOSBRPOGOFBW-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627180
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(3-fluoro-4-pyridinyl)-(thian-2-yl)methyl]ethanamine
CID 113447287
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
CID 80622128
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688768

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine (CID 80627741) is N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine is CCNC(c1cnccc1C)C1CCCS1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine?
The InChIKey is HGPOSBRPOGOFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-3-15-13(12-5-4-8-16-12)11-9-14-7-6-10(11)2/h6-7,9,12-13,15H,3-5,8H2,1-2H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine?
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine has a molecular weight of 236.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80627741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).