5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile

C14H20N2S — CID 79614229

IUPAC5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCC1(C)C(CNCc2cc(C#N)cs2)C1(C)C
InChIInChI=1S/C14H20N2S/c1-13(2)12(14(13,3)4)8-16-7-11-5-10(6-15)9-17-11/h5,9,12,16H,7-8H2,1-4H3
InChIKeyOIFBKXGEDIWAII-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.39
Rot. Bonds4

About 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile

5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile (PubChem CID 79614229) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
PubChem CID79614229
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCC1(C)C(CNCc2cc(C#N)cs2)C1(C)C
InChIInChI=1S/C14H20N2S/c1-13(2)12(14(13,3)4)8-16-7-11-5-10(6-15)9-17-11/h5,9,12,16H,7-8H2,1-4H3
InChIKeyOIFBKXGEDIWAII-UHFFFAOYSA-N
XLogP3.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile (CID 79614229) is 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile is CC1(C)C(CNCc2cc(C#N)cs2)C1(C)C.
What is the InChIKey of 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is OIFBKXGEDIWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-13(2)12(14(13,3)4)8-16-7-11-5-10(6-15)9-17-11/h5,9,12,16H,7-8H2,1-4H3.
What are the key properties of 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile?
5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79614229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).