5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile

C14H21N3S — CID 113250034

IUPAC5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
SMILESCN(C)C1(CNCc2ccc(C#N)s2)CCCC1
InChIInChI=1S/C14H21N3S/c1-17(2)14(7-3-4-8-14)11-16-10-13-6-5-12(9-15)18-13/h5-6,16H,3-4,7-8,10-11H2,1-2H3
InChIKeySXBURQRAILKCMG-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.58
Rot. Bonds5

About 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile

5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile (PubChem CID 113250034) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
PubChem CID113250034
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
SMILESCN(C)C1(CNCc2ccc(C#N)s2)CCCC1
InChIInChI=1S/C14H21N3S/c1-17(2)14(7-3-4-8-14)11-16-10-13-6-5-12(9-15)18-13/h5-6,16H,3-4,7-8,10-11H2,1-2H3
InChIKeySXBURQRAILKCMG-UHFFFAOYSA-N
XLogP2.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile (CID 113250034) is 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile is CN(C)C1(CNCc2ccc(C#N)s2)CCCC1.
What is the InChIKey of 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile?
The InChIKey is SXBURQRAILKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-17(2)14(7-3-4-8-14)11-16-10-13-6-5-12(9-15)18-13/h5-6,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile?
5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile has a molecular weight of 263.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113250034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).