2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine

C14H21N3S2 — CID 63981936

IUPAC2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(c1cccs1)c1nccn1C
InChIInChI=1S/C14H21N3S2/c1-11(10-18-3)9-16-13(12-5-4-8-19-12)14-15-6-7-17(14)2/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyLLXWIJDEBGZUBX-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.16
Rot. Bonds7

About 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine

2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 63981936) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
PubChem CID63981936
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC Name2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(c1cccs1)c1nccn1C
InChIInChI=1S/C14H21N3S2/c1-11(10-18-3)9-16-13(12-5-4-8-19-12)14-15-6-7-17(14)2/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyLLXWIJDEBGZUBX-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 43767761
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
1-(1-methylimidazol-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106392338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine (CID 63981936) is 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine is CSCC(C)CNC(c1cccs1)c1nccn1C.
What is the InChIKey of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is LLXWIJDEBGZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-11(10-18-3)9-16-13(12-5-4-8-19-12)14-15-6-7-17(14)2/h4-8,11,13,16H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 295.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63981936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).