N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

C16H26N2S2 — CID 115388266

IUPACN-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)C1SCCSC1CC
InChIInChI=1S/C16H26N2S2/c1-4-7-18-15(13-11-17-8-6-12(13)3)16-14(5-2)19-9-10-20-16/h6,8,11,14-16,18H,4-5,7,9-10H2,1-3H3
InChIKeyGLUODQQYSNWVHQ-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.06
Rot. Bonds6

About N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115388266) has the molecular formula C16H26N2S2 and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115388266
Molecular FormulaC16H26N2S2
Molecular Weight310.53 g/mol
Exact Mass310.15
IUPAC NameN-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)C1SCCSC1CC
InChIInChI=1S/C16H26N2S2/c1-4-7-18-15(13-11-17-8-6-12(13)3)16-14(5-2)19-9-10-20-16/h6,8,11,14-16,18H,4-5,7,9-10H2,1-3H3
InChIKeyGLUODQQYSNWVHQ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-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

N-[(3-ethyl-1,4-dithian-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115388258
3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
CID 115388238
N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627180
3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 115388222
N-[(3,5-difluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115388261
N-[(3-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 107360084
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
N-[cycloocten-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 106654173
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115388266) is N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cnccc1C)C1SCCSC1CC.
What is the InChIKey of N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is GLUODQQYSNWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S2/c1-4-7-18-15(13-11-17-8-6-12(13)3)16-14(5-2)19-9-10-20-16/h6,8,11,14-16,18H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115388266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).