(Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide

C7H13N3O6S — CID 87984982

IUPAC(Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide
SMILESO=C(O)/C=C\C(=O)O.[H]/N=C(\N)C(C)S(N)(=O)=O
InChIInChI=1S/C4H4O4.C3H9N3O2S/c5-3(6)1-2-4(7)8;1-2(3(4)5)9(6,7)8/h1-2H,(H,5,6)(H,7,8);2H,1H3,(H3,4,5)(H2,6,7,8)/b2-1-;
InChIKeyCVEVBUKBYNYMQW-ODZAUARKSA-N
MW267.26 g/mol
LogP-1.69
Rot. Bonds4

About (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide

(Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide (PubChem CID 87984982) has the molecular formula C7H13N3O6S and a molecular weight of 267.26 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide
PubChem CID87984982
Molecular FormulaC7H13N3O6S
Molecular Weight267.26 g/mol
Exact Mass267.05
IUPAC Name(Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide
SMILESO=C(O)/C=C\C(=O)O.[H]/N=C(\N)C(C)S(N)(=O)=O
InChIInChI=1S/C4H4O4.C3H9N3O2S/c5-3(6)1-2-4(7)8;1-2(3(4)5)9(6,7)8/h1-2H,(H,5,6)(H,7,8);2H,1H3,(H3,4,5)(H2,6,7,8)/b2-1-;
InChIKeyCVEVBUKBYNYMQW-ODZAUARKSA-N
XLogP-1.69
TPSA184.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;ethanesulfonamide
CID 174568618
2-methylpropanimidamide;hydrochloride
CID 2782053
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
but-2-enedioic acid;propan-2-ylhydrazine
CID 159437299
(Z)-4-carbamimidoyloxy-4-oxobut-2-enoic acid
CID 174781461
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide
CID 155368207
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
bis(4-amino-4-oxobut-2-enoic acid);propane-1,2-diol
CID 173054168
4-carbamimidoyl-5-methylhexanoic acid
CID 141366618

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide?
The IUPAC name of (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide (CID 87984982) is (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide?
The canonical SMILES for (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide is O=C(O)/C=C\C(=O)O.[H]/N=C(\N)C(C)S(N)(=O)=O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide?
The InChIKey is CVEVBUKBYNYMQW-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C3H9N3O2S/c5-3(6)1-2-4(7)8;1-2(3(4)5)9(6,7)8/h1-2H,(H,5,6)(H,7,8);2H,1H3,(H3,4,5)(H2,6,7,8)/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide?
(Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide has a molecular weight of 267.26 g/mol, XLogP of -1.69, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-sulfamoylpropanimidamide is sourced from PubChem (CID 87984982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).