N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

C15H26N2S2 — CID 80728816

IUPACN-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCSCC2C)c(C)s1
InChIInChI=1S/C15H26N2S2/c1-4-5-16-9-15-8-14(13(3)19-15)10-17-6-7-18-11-12(17)2/h8,12,16H,4-7,9-11H2,1-3H3
InChIKeyVWFNTQVRGINKJJ-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.49
Rot. Bonds6

About N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 80728816) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID80728816
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC NameN-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCSCC2C)c(C)s1
InChIInChI=1S/C15H26N2S2/c1-4-5-16-9-15-8-14(13(3)19-15)10-17-6-7-18-11-12(17)2/h8,12,16H,4-7,9-11H2,1-3H3
InChIKeyVWFNTQVRGINKJJ-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727521
2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728908
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80721378
N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
CID 80720708
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
2-methyl-N-[[5-methyl-4-[(2-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727676
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728262
N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 103539771
N-[[4-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728747
N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720631
N-[[5-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728754
N-[[5-methyl-4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80719688

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 80728816) is N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCSCC2C)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is VWFNTQVRGINKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-4-5-16-9-15-8-14(13(3)19-15)10-17-6-7-18-11-12(17)2/h8,12,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 298.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80728816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).