N,N-dimethylformamide;piperazine-1-sulfonic acid

C7H17N3O4S — CID 158851569

IUPACN,N-dimethylformamide;piperazine-1-sulfonic acid
SMILESCN(C)C=O.O=S(=O)(O)N1CCNCC1
InChIInChI=1S/C4H10N2O3S.C3H7NO/c7-10(8,9)6-3-1-5-2-4-6;1-4(2)3-5/h5H,1-4H2,(H,7,8,9);3H,1-2H3
InChIKeyIZNBRTPJECIWJA-UHFFFAOYSA-N
MW239.30 g/mol
LogP-1.60
Rot. Bonds2

About N,N-dimethylformamide;piperazine-1-sulfonic acid

N,N-dimethylformamide;piperazine-1-sulfonic acid (PubChem CID 158851569) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is N,N-dimethylformamide;piperazine-1-sulfonic acid.

Molecular Properties

Compound NameN,N-dimethylformamide;piperazine-1-sulfonic acid
PubChem CID158851569
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC NameN,N-dimethylformamide;piperazine-1-sulfonic acid
SMILESCN(C)C=O.O=S(=O)(O)N1CCNCC1
InChIInChI=1S/C4H10N2O3S.C3H7NO/c7-10(8,9)6-3-1-5-2-4-6;1-4(2)3-5/h5H,1-4H2,(H,7,8,9);3H,1-2H3
InChIKeyIZNBRTPJECIWJA-UHFFFAOYSA-N
XLogP-1.60
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

piperazine-1,4-disulfonic acid
CID 66863185
1-methylsulfonylpiperazine
CID 709161
2-methyl-2-piperazin-1-ylsulfonylpropanal
CID 115032123
N-(5-hydroxypentyl)-N-methylpiperazine-1-sulfonamide
CID 107200583
ethanesulfonic acid;1-ethylpiperazine
CID 18427549
N,N-dimethyl-2-[methyl(piperazin-1-ylsulfonyl)amino]acetamide
CID 43375100
thiomorpholine-4-sulfonic acid
CID 68633206
piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
N-methyl-N-pentan-3-ylpiperazine-1-sulfonamide
CID 43571296
piperidine-1-sulfonic acid
CID 558632
CID 159352431
CID 159352431

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;piperazine-1-sulfonic acid?
The IUPAC name of N,N-dimethylformamide;piperazine-1-sulfonic acid (CID 158851569) is N,N-dimethylformamide;piperazine-1-sulfonic acid.
What is the SMILES notation for N,N-dimethylformamide;piperazine-1-sulfonic acid?
The canonical SMILES for N,N-dimethylformamide;piperazine-1-sulfonic acid is CN(C)C=O.O=S(=O)(O)N1CCNCC1.
What is the InChIKey of N,N-dimethylformamide;piperazine-1-sulfonic acid?
The InChIKey is IZNBRTPJECIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S.C3H7NO/c7-10(8,9)6-3-1-5-2-4-6;1-4(2)3-5/h5H,1-4H2,(H,7,8,9);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;piperazine-1-sulfonic acid?
N,N-dimethylformamide;piperazine-1-sulfonic acid has a molecular weight of 239.30 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;piperazine-1-sulfonic acid is sourced from PubChem (CID 158851569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).