1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide

C8H16N4S2 — CID 2731758

IUPAC1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
SMILESCNC(=S)N1CCN(C(=S)NC)CC1
InChIInChI=1S/C8H16N4S2/c1-9-7(13)11-3-5-12(6-4-11)8(14)10-2/h3-6H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyXQDUFKBXVMDXMJ-UHFFFAOYSA-N
MW232.38 g/mol
LogP-0.39
Rot. Bonds

About 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide

1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide (PubChem CID 2731758) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide.

Molecular Properties

Compound Name1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
PubChem CID2731758
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
SMILESCNC(=S)N1CCN(C(=S)NC)CC1
InChIInChI=1S/C8H16N4S2/c1-9-7(13)11-3-5-12(6-4-11)8(14)10-2/h3-6H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyXQDUFKBXVMDXMJ-UHFFFAOYSA-N
XLogP-0.39
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-N-methylpiperidine-1-carbothioamide
CID 126990030
4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
CID 115583416
N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide
CID 115605189
N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 4550409
N,3,3-trimethylazetidine-1-carbothioamide
CID 126999189
4-(3-chloro-4-methylphenyl)-N-methylpiperazine-1-carbothioamide
CID 134096599
4-benzhydrylidene-N-methylpiperidine-1-carbothioamide
CID 15069115
4-[(2-bromophenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 19291665
4-(4-tert-butylphenyl)sulfonyl-N-methylpiperazine-1-carbothioamide
CID 8677525
4-[(3-hydroxyphenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 100570111
(3S)-3-methoxy-N-methylpyrrolidine-1-carbothioamide;hydrochloride
CID 131086314
N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 7944078

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide?
The IUPAC name of 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide (CID 2731758) is 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide.
What is the SMILES notation for 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide?
The canonical SMILES for 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide is CNC(=S)N1CCN(C(=S)NC)CC1.
What is the InChIKey of 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide?
The InChIKey is XQDUFKBXVMDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-9-7(13)11-3-5-12(6-4-11)8(14)10-2/h3-6H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide?
1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide has a molecular weight of 232.38 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide is sourced from PubChem (CID 2731758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).