N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide

C14H28N6S2 — CID 3034507

IUPACN,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
SMILESS=C(NCCN1CCNCC1)C(=S)NCCN1CCNCC1
InChIInChI=1S/C14H28N6S2/c21-13(17-5-11-19-7-1-15-2-8-19)14(22)18-6-12-20-9-3-16-4-10-20/h15-16H,1-12H2,(H,17,21)(H,18,22)
InChIKeyVHQRNZLMFMSUFY-UHFFFAOYSA-N
MW344.55 g/mol
LogP-1.37
Rot. Bonds6

About N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide

N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide (PubChem CID 3034507) has the molecular formula C14H28N6S2 and a molecular weight of 344.55 g/mol. Its IUPAC name is N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide.

Molecular Properties

Compound NameN,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
PubChem CID3034507
Molecular FormulaC14H28N6S2
Molecular Weight344.55 g/mol
Exact Mass344.18
IUPAC NameN,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
SMILESS=C(NCCN1CCNCC1)C(=S)NCCN1CCNCC1
InChIInChI=1S/C14H28N6S2/c21-13(17-5-11-19-7-1-15-2-8-19)14(22)18-6-12-20-9-3-16-4-10-20/h15-16H,1-12H2,(H,17,21)(H,18,22)
InChIKeyVHQRNZLMFMSUFY-UHFFFAOYSA-N
XLogP-1.37
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910
N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 55109658

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide?
The IUPAC name of N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide (CID 3034507) is N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide.
What is the SMILES notation for N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide?
The canonical SMILES for N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide is S=C(NCCN1CCNCC1)C(=S)NCCN1CCNCC1.
What is the InChIKey of N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide?
The InChIKey is VHQRNZLMFMSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6S2/c21-13(17-5-11-19-7-1-15-2-8-19)14(22)18-6-12-20-9-3-16-4-10-20/h15-16H,1-12H2,(H,17,21)(H,18,22).
What are the key properties of N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide?
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide has a molecular weight of 344.55 g/mol, XLogP of -1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide is sourced from PubChem (CID 3034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).