N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine

C14H22N2OS — CID 114054541

IUPACN-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ncccc1OC)C1(C)CCCS1
InChIInChI=1S/C14H22N2OS/c1-4-15-13(14(2)8-6-10-18-14)12-11(17-3)7-5-9-16-12/h5,7,9,13,15H,4,6,8,10H2,1-3H3
InChIKeyNEBYIWOTWDRZGZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.03
Rot. Bonds5

About N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine

N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 114054541) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID114054541
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ncccc1OC)C1(C)CCCS1
InChIInChI=1S/C14H22N2OS/c1-4-15-13(14(2)8-6-10-18-14)12-11(17-3)7-5-9-16-12/h5,7,9,13,15H,4,6,8,10H2,1-3H3
InChIKeyNEBYIWOTWDRZGZ-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105164486
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105179032
N-[(3-bromo-2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103524435
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105148565
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
[(2-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105304446
N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
N-[(2-methylthiolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102710043
3-ethoxy-N-ethyl-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 114054018
N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine
CID 114054416
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105184226

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine (CID 114054541) is N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine is CCNC(c1ncccc1OC)C1(C)CCCS1.
What is the InChIKey of N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is NEBYIWOTWDRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-15-13(14(2)8-6-10-18-14)12-11(17-3)7-5-9-16-12/h5,7,9,13,15H,4,6,8,10H2,1-3H3.
What are the key properties of N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine?
N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 266.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 114054541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).