1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine

C20H26N4S2 — CID 139216002

IUPAC1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
SMILESc1csc(CN2CCC(=NN=C3CCN(Cc4cccs4)CC3)CC2)c1
InChIInChI=1S/C20H26N4S2/c1-3-19(25-13-1)15-23-9-5-17(6-10-23)21-22-18-7-11-24(12-8-18)16-20-4-2-14-26-20/h1-4,13-14H,5-12,15-16H2
InChIKeyYKUJTVUIQJACKK-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.50
Rot. Bonds5

About 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine

1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine (PubChem CID 139216002) has the molecular formula C20H26N4S2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
PubChem CID139216002
Molecular FormulaC20H26N4S2
Molecular Weight386.59 g/mol
Exact Mass386.16
IUPAC Name1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
SMILESc1csc(CN2CCC(=NN=C3CCN(Cc4cccs4)CC3)CC2)c1
InChIInChI=1S/C20H26N4S2/c1-3-19(25-13-1)15-23-9-5-17(6-10-23)21-22-18-7-11-24(12-8-18)16-20-4-2-14-26-20/h1-4,13-14H,5-12,15-16H2
InChIKeyYKUJTVUIQJACKK-UHFFFAOYSA-N
XLogP4.50
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine with MolForge

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Related Compounds

1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
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
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine (CID 139216002) is 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine is c1csc(CN2CCC(=NN=C3CCN(Cc4cccs4)CC3)CC2)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
The InChIKey is YKUJTVUIQJACKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S2/c1-3-19(25-13-1)15-23-9-5-17(6-10-23)21-22-18-7-11-24(12-8-18)16-20-4-2-14-26-20/h1-4,13-14H,5-12,15-16H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine has a molecular weight of 386.59 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine is sourced from PubChem (CID 139216002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).