(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile

C15H20N4S — CID 32527833

IUPAC(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@H](C#N)CN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H20N4S/c16-5-1-3-14(11-17)12-18-6-8-19(9-7-18)13-15-4-2-10-20-15/h2,4,10,14H,1,3,6-9,12-13H2/t14-/m1/s1
InChIKeyGZDILCRCFWJNEB-CQSZACIVSA-N
MW288.42 g/mol
LogP2.31
Rot. Bonds6

About (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile

(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile (PubChem CID 32527833) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile
PubChem CID32527833
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@H](C#N)CN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H20N4S/c16-5-1-3-14(11-17)12-18-6-8-19(9-7-18)13-15-4-2-10-20-15/h2,4,10,14H,1,3,6-9,12-13H2/t14-/m1/s1
InChIKeyGZDILCRCFWJNEB-CQSZACIVSA-N
XLogP2.31
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile
CID 32526421
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
1-(thiophen-2-ylmethyl)piperazine
CID 566208
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
CID 94615297
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 94489097
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290153
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile (CID 32527833) is (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile is N#CCC[C@H](C#N)CN1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile?
The InChIKey is GZDILCRCFWJNEB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4S/c16-5-1-3-14(11-17)12-18-6-8-19(9-7-18)13-15-4-2-10-20-15/h2,4,10,14H,1,3,6-9,12-13H2/t14-/m1/s1.
What are the key properties of (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile?
(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile has a molecular weight of 288.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 32527833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).