2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid

C7H17N5O5S — CID 11858357

IUPAC2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid
SMILESNC(N)=NCC(=O)N[C@H]1CCNC1.O=S(=O)(O)O
InChIInChI=1S/C7H15N5O.H2O4S/c8-7(9)11-4-6(13)12-5-1-2-10-3-5;1-5(2,3)4/h5,10H,1-4H2,(H,12,13)(H4,8,9,11);(H2,1,2,3,4)/t5-;/m0./s1
InChIKeyQFMDREWKRFNRLR-JEDNCBNOSA-N
MW283.31 g/mol
LogP-2.91
Rot. Bonds3

About 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid

2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid (PubChem CID 11858357) has the molecular formula C7H17N5O5S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid
PubChem CID11858357
Molecular FormulaC7H17N5O5S
Molecular Weight283.31 g/mol
Exact Mass283.10
IUPAC Name2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid
SMILESNC(N)=NCC(=O)N[C@H]1CCNC1.O=S(=O)(O)O
InChIInChI=1S/C7H15N5O.H2O4S/c8-7(9)11-4-6(13)12-5-1-2-10-3-5;1-5(2,3)4/h5,10H,1-4H2,(H,12,13)(H4,8,9,11);(H2,1,2,3,4)/t5-;/m0./s1
InChIKeyQFMDREWKRFNRLR-JEDNCBNOSA-N
XLogP-2.91
TPSA180.13 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.31
LogP ≤ 5-2.91
H-Bond Donors ≤ 56
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid?
The IUPAC name of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid (CID 11858357) is 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid?
The canonical SMILES for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid is NC(N)=NCC(=O)N[C@H]1CCNC1.O=S(=O)(O)O.
What is the InChIKey of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid?
The InChIKey is QFMDREWKRFNRLR-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H15N5O.H2O4S/c8-7(9)11-4-6(13)12-5-1-2-10-3-5;1-5(2,3)4/h5,10H,1-4H2,(H,12,13)(H4,8,9,11);(H2,1,2,3,4)/t5-;/m0./s1.
What are the key properties of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid?
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid has a molecular weight of 283.31 g/mol, XLogP of -2.91, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid is sourced from PubChem (CID 11858357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).