2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide

C6H13N5OS — CID 53441667

IUPAC2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide
SMILES[N-]=[N+]=NCCCNC(=O)C(N)CS
InChIInChI=1S/C6H13N5OS/c7-5(4-13)6(12)9-2-1-3-10-11-8/h5,13H,1-4,7H2,(H,9,12)
InChIKeyVKVFOUBKEPYGPS-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.06
Rot. Bonds6

About 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide

2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide (PubChem CID 53441667) has the molecular formula C6H13N5OS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide
PubChem CID53441667
Molecular FormulaC6H13N5OS
Molecular Weight203.27 g/mol
Exact Mass203.08
IUPAC Name2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide
SMILES[N-]=[N+]=NCCCNC(=O)C(N)CS
InChIInChI=1S/C6H13N5OS/c7-5(4-13)6(12)9-2-1-3-10-11-8/h5,13H,1-4,7H2,(H,9,12)
InChIKeyVKVFOUBKEPYGPS-UHFFFAOYSA-N
XLogP0.06
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide?
The IUPAC name of 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide (CID 53441667) is 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide is [N-]=[N+]=NCCCNC(=O)C(N)CS.
What is the InChIKey of 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide?
The InChIKey is VKVFOUBKEPYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5OS/c7-5(4-13)6(12)9-2-1-3-10-11-8/h5,13H,1-4,7H2,(H,9,12).
What are the key properties of 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide?
2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide has a molecular weight of 203.27 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide is sourced from PubChem (CID 53441667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).