bis(4-methylpiperazine-1-carboximidamide);sulfate

C12H28N8O4S-2 — CID 20848838

IUPACbis(4-methylpiperazine-1-carboximidamide);sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCN(C)CC1.[H]/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/2C6H14N4.H2O4S/c2*1-9-2-4-10(5-3-9)6(7)8;1-5(2,3)4/h2*2-5H2,1H3,(H3,7,8);(H2,1,2,3,4)/p-2
InChIKeyDVHHXDCTUXTRMG-UHFFFAOYSA-L
MW380.48 g/mol
LogP-3.08
Rot. Bonds

About bis(4-methylpiperazine-1-carboximidamide);sulfate

bis(4-methylpiperazine-1-carboximidamide);sulfate (PubChem CID 20848838) has the molecular formula C12H28N8O4S-2 and a molecular weight of 380.48 g/mol. Its IUPAC name is bis(4-methylpiperazine-1-carboximidamide);sulfate.

Molecular Properties

Compound Namebis(4-methylpiperazine-1-carboximidamide);sulfate
PubChem CID20848838
Molecular FormulaC12H28N8O4S-2
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Namebis(4-methylpiperazine-1-carboximidamide);sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCN(C)CC1.[H]/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/2C6H14N4.H2O4S/c2*1-9-2-4-10(5-3-9)6(7)8;1-5(2,3)4/h2*2-5H2,1H3,(H3,7,8);(H2,1,2,3,4)/p-2
InChIKeyDVHHXDCTUXTRMG-UHFFFAOYSA-L
XLogP-3.08
TPSA192.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 5-3.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
bis(piperidine-1-carboximidamide);sulfate
CID 176520873
piperidine-1-carboximidamide sulfate
CID 19705071
ethane;4-methyl-1,4-diazepane-1-carboximidamide
CID 142313225
bis(morpholine-4-carboximidamide);sulfate
CID 73010846
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
4-propylpiperazine-1-carboximidamide
CID 18176782
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
1-cyclohexyl-4-methylsulfonylbenzene;4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboximidamide
CID 157437205
4-oxopiperidine-1-carboximidamide
CID 19089226
2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
CID 54124814
4-(3-hydroxypropyl)piperazine-1-carboximidamide
CID 170081980

Frequently Asked Questions

What is the IUPAC name of bis(4-methylpiperazine-1-carboximidamide);sulfate?
The IUPAC name of bis(4-methylpiperazine-1-carboximidamide);sulfate (CID 20848838) is bis(4-methylpiperazine-1-carboximidamide);sulfate.
What is the SMILES notation for bis(4-methylpiperazine-1-carboximidamide);sulfate?
The canonical SMILES for bis(4-methylpiperazine-1-carboximidamide);sulfate is O=S(=O)([O-])[O-].[H]/N=C(\N)N1CCN(C)CC1.[H]/N=C(\N)N1CCN(C)CC1.
What is the InChIKey of bis(4-methylpiperazine-1-carboximidamide);sulfate?
The InChIKey is DVHHXDCTUXTRMG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H14N4.H2O4S/c2*1-9-2-4-10(5-3-9)6(7)8;1-5(2,3)4/h2*2-5H2,1H3,(H3,7,8);(H2,1,2,3,4)/p-2.
What are the key properties of bis(4-methylpiperazine-1-carboximidamide);sulfate?
bis(4-methylpiperazine-1-carboximidamide);sulfate has a molecular weight of 380.48 g/mol, XLogP of -3.08, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpiperazine-1-carboximidamide);sulfate is sourced from PubChem (CID 20848838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).