[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine

C14H24N2S2 — CID 114238335

IUPAC[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCSC1CCCN(Cc2cc(CN)sc2C)CC1
InChIInChI=1S/C14H24N2S2/c1-11-12(8-14(9-15)18-11)10-16-6-3-4-13(17-2)5-7-16/h8,13H,3-7,9-10,15H2,1-2H3
InChIKeyFMABQSMNUKSBPZ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.23
Rot. Bonds4

About [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine

[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 114238335) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID114238335
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCSC1CCCN(Cc2cc(CN)sc2C)CC1
InChIInChI=1S/C14H24N2S2/c1-11-12(8-14(9-15)18-11)10-16-6-3-4-13(17-2)5-7-16/h8,13H,3-7,9-10,15H2,1-2H3
InChIKeyFMABQSMNUKSBPZ-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine 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

[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522
[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728525
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487
[3-[(4-methylsulfanylazepan-1-yl)methyl]phenyl]methanamine
CID 114236668
[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729947
6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
CID 114237944
[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80719354
[5-methyl-4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]methanamine
CID 80729106
4-methyl-2-[(4-methylsulfanylpiperidin-1-yl)methyl]aniline
CID 114237620
3-iodo-5-[(4-methylsulfanylazepan-1-yl)methyl]aniline
CID 112751061
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine (CID 114238335) is [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine is CSC1CCCN(Cc2cc(CN)sc2C)CC1.
What is the InChIKey of [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is FMABQSMNUKSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-11-12(8-14(9-15)18-11)10-16-6-3-4-13(17-2)5-7-16/h8,13H,3-7,9-10,15H2,1-2H3.
What are the key properties of [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 284.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 114238335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).