2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine

C14H18N2S2 — CID 80640378

IUPAC2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(Sc2cccs2)nc1
InChIInChI=1S/C14H18N2S2/c1-11(2)8-15-9-12-5-6-13(16-10-12)18-14-4-3-7-17-14/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyPMLAAYJTGCSDQO-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.04
Rot. Bonds6

About 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine

2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 80640378) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID80640378
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(Sc2cccs2)nc1
InChIInChI=1S/C14H18N2S2/c1-11(2)8-15-9-12-5-6-13(16-10-12)18-14-4-3-7-17-14/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyPMLAAYJTGCSDQO-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-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

2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
CID 107772150
N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 63806915
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102915345
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
N-[[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63776384
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine (CID 80640378) is 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine is CC(C)CNCc1ccc(Sc2cccs2)nc1.
What is the InChIKey of 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is PMLAAYJTGCSDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-11(2)8-15-9-12-5-6-13(16-10-12)18-14-4-3-7-17-14/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 278.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 80640378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).