carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten

C7H17N2O2SW- — CID 21334664

IUPACcarbanide;4-ethylpiperazine-1-sulfinic acid;tungsten
SMILESCCN1CCN(S(=O)O)CC1.[CH3-].[W]
InChIInChI=1S/C6H14N2O2S.CH3.W/c1-2-7-3-5-8(6-4-7)11(9)10;;/h2-6H2,1H3,(H,9,10);1H3;/q;-1;
InChIKeyPHYMDGQGERRTFF-UHFFFAOYSA-N
MW377.13 g/mol
LogP0.21
Rot. Bonds2

About carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten

carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten (PubChem CID 21334664) has the molecular formula C7H17N2O2SW- and a molecular weight of 377.13 g/mol. Its IUPAC name is carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten.

Molecular Properties

Compound Namecarbanide;4-ethylpiperazine-1-sulfinic acid;tungsten
PubChem CID21334664
Molecular FormulaC7H17N2O2SW-
Molecular Weight377.13 g/mol
Exact Mass377.05
IUPAC Namecarbanide;4-ethylpiperazine-1-sulfinic acid;tungsten
SMILESCCN1CCN(S(=O)O)CC1.[CH3-].[W]
InChIInChI=1S/C6H14N2O2S.CH3.W/c1-2-7-3-5-8(6-4-7)11(9)10;;/h2-6H2,1H3,(H,9,10);1H3;/q;-1;
InChIKeyPHYMDGQGERRTFF-UHFFFAOYSA-N
XLogP0.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten?
The IUPAC name of carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten (CID 21334664) is carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten.
What is the SMILES notation for carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten?
The canonical SMILES for carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten is CCN1CCN(S(=O)O)CC1.[CH3-].[W].
What is the InChIKey of carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten?
The InChIKey is PHYMDGQGERRTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.CH3.W/c1-2-7-3-5-8(6-4-7)11(9)10;;/h2-6H2,1H3,(H,9,10);1H3;/q;-1;.
What are the key properties of carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten?
carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten has a molecular weight of 377.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-ethylpiperazine-1-sulfinic acid;tungsten is sourced from PubChem (CID 21334664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).