[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine

C10H23FN4OS — CID 144538545

IUPAC[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine
SMILESCC(C)N.N/C(=C\N(N)CC=O)CCCSF
InChIInChI=1S/C7H14FN3OS.C3H9N/c8-13-5-1-2-7(9)6-11(10)3-4-12;1-3(2)4/h4,6H,1-3,5,9-10H2;3H,4H2,1-2H3/b7-6-;
InChIKeyZWECFDFCAXNTMT-NAFXZHHSSA-N
MW266.39 g/mol
LogP0.91
Rot. Bonds7

About [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine

[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine (PubChem CID 144538545) has the molecular formula C10H23FN4OS and a molecular weight of 266.39 g/mol. Its IUPAC name is [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine.

Molecular Properties

Compound Name[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine
PubChem CID144538545
Molecular FormulaC10H23FN4OS
Molecular Weight266.39 g/mol
Exact Mass266.16
IUPAC Name[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine
SMILESCC(C)N.N/C(=C\N(N)CC=O)CCCSF
InChIInChI=1S/C7H14FN3OS.C3H9N/c8-13-5-1-2-7(9)6-11(10)3-4-12;1-3(2)4/h4,6H,1-3,5,9-10H2;3H,4H2,1-2H3/b7-6-;
InChIKeyZWECFDFCAXNTMT-NAFXZHHSSA-N
XLogP0.91
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine?
The IUPAC name of [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine (CID 144538545) is [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine.
What is the SMILES notation for [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine?
The canonical SMILES for [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine is CC(C)N.N/C(=C\N(N)CC=O)CCCSF.
What is the InChIKey of [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine?
The InChIKey is ZWECFDFCAXNTMT-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H14FN3OS.C3H9N/c8-13-5-1-2-7(9)6-11(10)3-4-12;1-3(2)4/h4,6H,1-3,5,9-10H2;3H,4H2,1-2H3/b7-6-;.
What are the key properties of [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine?
[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine is sourced from PubChem (CID 144538545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).