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

C16H28N2S2 — CID 80728908

IUPAC2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1sc(CNCC(C)C)cc1CN1CCSCC1C
InChIInChI=1S/C16H28N2S2/c1-12(2)8-17-9-16-7-15(14(4)20-16)10-18-5-6-19-11-13(18)3/h7,12-13,17H,5-6,8-11H2,1-4H3
InChIKeyIWQPPCVVDVMVRY-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.74
Rot. Bonds6

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

2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 80728908) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID80728908
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1sc(CNCC(C)C)cc1CN1CCSCC1C
InChIInChI=1S/C16H28N2S2/c1-12(2)8-17-9-16-7-15(14(4)20-16)10-18-5-6-19-11-13(18)3/h7,12-13,17H,5-6,8-11H2,1-4H3
InChIKeyIWQPPCVVDVMVRY-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-N-[[5-methyl-4-[(2-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727676
N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728816
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
N-[[3-bromo-4-[(3-methylthiomorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102771218
N-[[5-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727521
N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729702
2-methyl-N-[[5-methyl-4-(oxetan-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 102608234
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80727214
N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720631
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
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 80728908) is 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is Cc1sc(CNCC(C)C)cc1CN1CCSCC1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is IWQPPCVVDVMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-12(2)8-17-9-16-7-15(14(4)20-16)10-18-5-6-19-11-13(18)3/h7,12-13,17H,5-6,8-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 312.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80728908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).