[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine

C13H22N2S2 — CID 80728525

IUPAC[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CC(C)SC(C)C1
InChIInChI=1S/C13H22N2S2/c1-9-6-15(7-10(2)16-9)8-12-4-13(5-14)17-11(12)3/h4,9-10H,5-8,14H2,1-3H3
InChIKeyBXEMBWHSVWOJKW-UHFFFAOYSA-N
MW270.47 g/mol
LogP2.84
Rot. Bonds3

About [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80728525) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80728525
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CC(C)SC(C)C1
InChIInChI=1S/C13H22N2S2/c1-9-6-15(7-10(2)16-9)8-12-4-13(5-14)17-11(12)3/h4,9-10H,5-8,14H2,1-3H3
InChIKeyBXEMBWHSVWOJKW-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522
[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 114238335
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487
[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729947
[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
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575263
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759
N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728289
[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 82695382
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
CID 80728454
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine (CID 80728525) is [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine is Cc1sc(CN)cc1CN1CC(C)SC(C)C1.
What is the InChIKey of [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is BXEMBWHSVWOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-9-6-15(7-10(2)16-9)8-12-4-13(5-14)17-11(12)3/h4,9-10H,5-8,14H2,1-3H3.
What are the key properties of [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 270.47 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80728525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).