2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide

C15H26N4S2 — CID 20788464

IUPAC2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide
SMILESC=C(C)CNC(=S)N1CCN(C(=S)NCC(=C)C)C(C)C1
InChIInChI=1S/C15H26N4S2/c1-11(2)8-16-14(20)18-6-7-19(13(5)10-18)15(21)17-9-12(3)4/h13H,1,3,6-10H2,2,4-5H3,(H,16,20)(H,17,21)
InChIKeyZOKVLELDWWIIBV-UHFFFAOYSA-N
MW326.54 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide

2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide (PubChem CID 20788464) has the molecular formula C15H26N4S2 and a molecular weight of 326.54 g/mol. Its IUPAC name is 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide.

Molecular Properties

Compound Name2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide
PubChem CID20788464
Molecular FormulaC15H26N4S2
Molecular Weight326.54 g/mol
Exact Mass326.16
IUPAC Name2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide
SMILESC=C(C)CNC(=S)N1CCN(C(=S)NCC(=C)C)C(C)C1
InChIInChI=1S/C15H26N4S2/c1-11(2)8-16-14(20)18-6-7-19(13(5)10-18)15(21)17-9-12(3)4/h13H,1,3,6-10H2,2,4-5H3,(H,16,20)(H,17,21)
InChIKeyZOKVLELDWWIIBV-UHFFFAOYSA-N
XLogP1.89
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
CID 20788463
(2S)-1-N,4-N-dibenzyl-2-methylpiperazine-1,4-dicarbothioamide
CID 27235619
N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide
CID 6946539
N-(2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 75415321
N-[(3S)-4-(cyclopropanecarbonylcarbamothioyl)-3-methylpiperazine-1-carbothioyl]cyclopropanecarboxamide
CID 2420422
4-benzyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
CID 3449075
2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
CID 4085607
(1R,5R)-1,3,3-trimethyl-N-(2-methylprop-2-enyl)-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 98157710
3,4-dimethyl-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 116508593
3-methyl-N-(2-methylprop-2-enyl)pyrrolidine-1-carboxamide
CID 127013208
1-N,4-N-bis(3,4-dichlorophenyl)-2-methylpiperazine-1,4-dicarbothioamide
CID 20788469
(3R)-3-methyl-4-(4-methylphenyl)-N-prop-2-enylpiperazine-1-carbothioamide
CID 51390056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide?
The IUPAC name of 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide (CID 20788464) is 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide.
What is the SMILES notation for 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide?
The canonical SMILES for 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide is C=C(C)CNC(=S)N1CCN(C(=S)NCC(=C)C)C(C)C1.
What is the InChIKey of 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide?
The InChIKey is ZOKVLELDWWIIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S2/c1-11(2)8-16-14(20)18-6-7-19(13(5)10-18)15(21)17-9-12(3)4/h13H,1,3,6-10H2,2,4-5H3,(H,16,20)(H,17,21).
What are the key properties of 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide?
2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide has a molecular weight of 326.54 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N,4-N-bis(2-methylprop-2-enyl)piperazine-1,4-dicarbothioamide is sourced from PubChem (CID 20788464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).