N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

C16H23ClN2S2 — CID 107556204

IUPACN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1ccc(Cl)s1)Cc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C16H23ClN2S2/c1-16(2,3)18-9-12-5-6-13(20-12)10-19(4)11-14-7-8-15(17)21-14/h5-8,18H,9-11H2,1-4H3
InChIKeyRAWQRJOVFRDQCC-UHFFFAOYSA-N
MW342.96 g/mol
LogP4.98
Rot. Bonds6

About N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107556204) has the molecular formula C16H23ClN2S2 and a molecular weight of 342.96 g/mol. Its IUPAC name is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107556204
Molecular FormulaC16H23ClN2S2
Molecular Weight342.96 g/mol
Exact Mass342.10
IUPAC NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1ccc(Cl)s1)Cc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C16H23ClN2S2/c1-16(2,3)18-9-12-5-6-13(20-12)10-19(4)11-14-7-8-15(17)21-14/h5-8,18H,9-11H2,1-4H3
InChIKeyRAWQRJOVFRDQCC-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.96
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62429083
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555875
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556859
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
CID 103055827
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 107556204) is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is CN(Cc1ccc(Cl)s1)Cc1ccc(CNC(C)(C)C)s1.
What is the InChIKey of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RAWQRJOVFRDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2S2/c1-16(2,3)18-9-12-5-6-13(20-12)10-19(4)11-14-7-8-15(17)21-14/h5-8,18H,9-11H2,1-4H3.
What are the key properties of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 342.96 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107556204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).